2-[[5-(3-acetamidophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[5-(3-acetamidophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-(3-acetamidophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(3-acetamidophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-(3-acetamidophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-(3-acetamidophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O2S/c1-12(24)19-15-9-5-6-13(10-15)17-21-18(23-22-17)26-11-16(25)20-14-7-3-2-4-8-14/h2-10H,11H2,1H3,(H,19,24)(H,20,25)(H,21,22,23)