2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide

Systemtic Name: 2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)SC2=NN=C(N2N)C3CCCCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)SC2=NN=C(N2N)C3CCCCC3)C

InChI

InChI=1S/C20H29N5OS/c1-4-15-12-8-9-13(2)17(15)22-19(26)14(3)27-20-24-23-18(25(20)21)16-10-6-5-7-11-16/h8-9,12,14,16H,4-7,10-11,21H2,1-3H3,(H,22,26)