propan-2-yl 3-[2-[[4-methyl-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 3-[2-[[4-methyl-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-[[5-(benzylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[4-methyl-5-[(phenylmethylthio)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[[5-(benzylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[[5-[(benzylthio)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid isopropyl ester Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CSCC3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CSCC3=CC=CC=C3

InChI

InChI=1S/C23H26N4O3S2/c1-16(2)30-22(29)18-10-7-11-19(12-18)24-21(28)15-32-23-26-25-20(27(23)3)14-31-13-17-8-5-4-6-9-17/h4-12,16H,13-15H2,1-3H3,(H,24,28)