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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)propanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)propanamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanophenyl)propanamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)propanamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyanophenyl)propionamide Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C20H18N6O2S/c1-13(19(28)24-18-9-4-3-6-15(18)11-21)29-20-25-22-12-26(20)17-8-5-7-16(10-17)23-14(2)27/h3-10,12-13H,1-2H3,(H,23,27)(H,24,28)