methyl 4-[[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H20N4O3S/c1-3-4-13-18-19-16(24)20(13)10-14(21)17-9-11-5-7-12(8-6-11)15(22)23-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)(H,19,24)