3-[[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoylamino]methyl]-N-methyl-benzamide

Systemtic Name: 3-[[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanoylamino]methyl]-N-methyl-benzamide Openeye Name: 3-[[[2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]methyl]-N-methyl-benzamide CAS Name: 3-[[[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxoethyl]amino]methyl]-N-methylbenzamide IUPAC Name: 3-[[[2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]amino]methyl]-N-methylbenzamide Traditional Name: 3-[[[2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]methyl]-N-methyl-benzamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)CNC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)CNC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H21N5O3S/c1-21-19(27)15-5-3-4-13(10-15)11-22-17(26)12-25-18(23-24-20(25)29)14-6-8-16(28-2)9-7-14/h3-10H,11-12H2,1-2H3,(H,21,27)(H,22,26)(H,24,29)