N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-[2-(2-ethylanilino)-2-oxo-ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[2-(2-ethylanilino)-2-oxoethyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-[2-(2-ethylanilino)-2-oxoethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-[2-(2-ethylanilino)-2-keto-ethyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)C2=CC=C(C=C2)CSC3=NC=NN3

InChI

InChI=1S/C20H21N5O2S/c1-2-15-5-3-4-6-17(15)24-18(26)11-21-19(27)16-9-7-14(8-10-16)12-28-20-22-13-23-25-20/h3-10,13H,2,11-12H2,1H3,(H,21,27)(H,24,26)(H,22,23,25)