N-(2-cyanoethyl)-2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)ethanamide Openeye Name: N-(2-cyanoethyl)-2-[[4-(2,4-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide CAS Name: N-(2-cyanoethyl)-2-[[4-(2,4-dimethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: N-(2-cyanoethyl)-2-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide Traditional Name: N-(2-cyanoethyl)-2-[[4-(2,4-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxyphenyl)acetamide Formula: C27H26N6O2S MolecularWeight: 498.59934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3OC)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)N(CCC#N)C3=CC=CC=C3OC)C4=CN=CC=C4)C

InChI

InChI=1S/C27H26N6O2S/c1-19-11-12-22(20(2)16-19)33-26(21-8-6-14-29-17-21)30-31-27(33)36-18-25(34)32(15-7-13-28)23-9-4-5-10-24(23)35-3/h4-6,8-12,14,16-17H,7,15,18H2,1-3H3