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

Systemtic Name: N-(cyanomethyl)-N-phenyl-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(cyanomethyl)-2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-N-phenyl-2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(cyanomethyl)-N-phenyl-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(cyanomethyl)-2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C26H24N6OS MolecularWeight: 468.57336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N6OS/c1-19(2)22-12-6-7-13-23(22)32-25(20-9-8-15-28-17-20)29-30-26(32)34-18-24(33)31(16-14-27)21-10-4-3-5-11-21/h3-13,15,17,19H,16,18H2,1-2H3