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

Systemtic Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[[4-(3-acetamidophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]-N-(3-cyano-2-thienyl)acetamide Formula: C20H18N6O2S2 MolecularWeight: 438.52592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CS3)C#N)C4CC4

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CS3)C#N)C4CC4

InChI

InChI=1S/C20H18N6O2S2/c1-12(27)22-15-3-2-4-16(9-15)26-18(13-5-6-13)24-25-20(26)30-11-17(28)23-19-14(10-21)7-8-29-19/h2-4,7-9,13H,5-6,11H2,1H3,(H,22,27)(H,23,28)