methyl 4-[[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NN=C(N2C3CC3)C4=CC=CS4

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NN=C(N2C3CC3)C4=CC=CS4

InChI

InChI=1S/C21H22N4O3S2/c1-13(19(26)22-12-14-5-7-15(8-6-14)20(27)28-2)30-21-24-23-18(17-4-3-11-29-17)25(21)16-9-10-16/h3-8,11,13,16H,9-10,12H2,1-2H3,(H,22,26)