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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclopentyl)ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclopentyl)acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclopentyl)acetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclopentyl)acetamide Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C=NN=C2SCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C18H20N6O2S/c1-13(25)21-14-5-4-6-15(9-14)24-12-20-23-17(24)27-10-16(26)22-18(11-19)7-2-3-8-18/h4-6,9,12H,2-3,7-8,10H2,1H3,(H,21,25)(H,22,26)