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

Systemtic Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridyl)acetamide CAS Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-3-ylacetamide Traditional Name: 2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(3-pyridyl)acetamide Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CN=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CN=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C20H22N6OS/c27-18(23-16-5-4-10-22-13-16)14-28-20-25-24-19(15-8-11-21-12-9-15)26(20)17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2,(H,23,27)