2-[5-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[5-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide Openeye Name: 2-[5-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide CAS Name: 2-[5-[[2-(4-ethylanilino)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide IUPAC Name: 2-[5-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide Traditional Name: 2-[5-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-3-15-9-11-17(12-10-15)23-20(28)14-29-21-25-24-18(26(21)2)13-19(27)22-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,22,27)(H,23,28)