propan-2-yl 2-[2-[[5-(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-[[5-(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-[[5-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[5-(4-bromo-1,5-dimethyl-3-pyrazolyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-[[5-(4-bromo-1,5-dimethylpyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[5-(4-bromo-1,5-dimethyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C27H28BrFN6O3S2 MolecularWeight: 647.582023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C)Br

Isomeric SMILES

CC1=C(C(=NN1C)C2=NN=C(N2C3=CC=C(C=C3)F)SCC(=O)NC4=C(C5=C(S4)CCCC5)C(=O)OC(C)C)Br

InChI

InChI=1S/C27H28BrFN6O3S2/c1-14(2)38-26(37)21-18-7-5-6-8-19(18)40-25(21)30-20(36)13-39-27-32-31-24(23-22(28)15(3)34(4)33-23)35(27)17-11-9-16(29)10-12-17/h9-12,14H,5-8,13H2,1-4H3,(H,30,36)