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

Systemtic Name: 2-[[5-(4-acetamidophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)ethanamide Openeye Name: 2-[[5-(4-acetamidophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)acetamide CAS Name: 2-[[5-(4-acetamidophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-cyanophenyl)acetamide IUPAC Name: 2-[[5-(4-acetamidophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)acetamide Traditional Name: 2-[[5-(4-acetamidophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-cyanophenyl)acetamide Formula: C19H16N6O2S MolecularWeight: 392.43434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C19H16N6O2S/c1-12(26)21-15-8-6-13(7-9-15)18-23-19(25-24-18)28-11-17(27)22-16-5-3-2-4-14(16)10-20/h2-9H,11H2,1H3,(H,21,26)(H,22,27)(H,23,24,25)