N-(2-cyanoethyl)-N-phenyl-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-phenyl-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(2-cyanoethyl)-N-phenyl-2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-phenyl-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C27H26N6OS MolecularWeight: 482.59994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CN=CC=C4

InChI

InChI=1S/C27H26N6OS/c1-20(2)23-13-6-7-14-24(23)33-26(21-10-8-16-29-18-21)30-31-27(33)35-19-25(34)32(17-9-15-28)22-11-4-3-5-12-22/h3-8,10-14,16,18,20H,9,17,19H2,1-2H3