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

Systemtic Name: methyl 4-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[(4-methyl-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-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NN=C(N2C)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NN=C(N2C)C3=CC=CS3

InChI

InChI=1S/C19H20N4O3S2/c1-12(28-19-22-21-16(23(19)2)15-5-4-10-27-15)17(24)20-11-13-6-8-14(9-7-13)18(25)26-3/h4-10,12H,11H2,1-3H3,(H,20,24)