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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)NCC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)NCC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C20H29N5OS/c1-15-22-23-20(25(15)18-7-5-4-6-8-18)27-14-19(26)21-13-16-9-11-17(12-10-16)24(2)3/h9-12,18H,4-8,13-14H2,1-3H3,(H,21,26)