N-(1-cyanocyclohexyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C26H30N6OS MolecularWeight: 474.621

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC3(CCCCC3)C#N)C4=CN=CC=C4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)NC3(CCCCC3)C#N)C4=CN=CC=C4

InChI

InChI=1S/C26H30N6OS/c1-18(2)21-11-5-6-12-22(21)32-23(20-10-9-15-28-16-20)30-31-25(32)34-19(3)24(33)29-26(17-27)13-7-4-8-14-26/h5-6,9-12,15-16,18-19H,4,7-8,13-14H2,1-3H3,(H,29,33)