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

Systemtic Name: 2-[2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-methyl-amino]-N-phenyl-ethanamide Openeye Name: 2-[[2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methyl-amino]-N-phenyl-acetamide CAS Name: 2-[[2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-methylamino]-N-phenylacetamide IUPAC Name: 2-[[2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-methylamino]-N-phenylacetamide Traditional Name: 2-[[2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]thio]acetyl]-methyl-amino]-N-phenyl-acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C=NN=C2SCC(=O)N(C)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=CC=C1N2C=NN=C2SCC(=O)N(C)CC(=O)NC3=CC=CC=C3

InChI

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