2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-dimethylaminophenyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H29N5OS/c1-14(19(26)21-16-10-12-17(13-11-16)24(3)4)27-20-23-22-15(2)25(20)18-8-6-5-7-9-18/h10-14,18H,5-9H2,1-4H3,(H,21,26)