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

Systemtic Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)acetamide CAS Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(m-tolyl)acetamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C22H25N5OS/c1-16-6-5-7-18(14-16)24-20(28)15-29-22-26-25-21(17-10-12-23-13-11-17)27(22)19-8-3-2-4-9-19/h5-7,10-14,19H,2-4,8-9,15H2,1H3,(H,24,28)