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

Systemtic Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide Openeye Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide CAS Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2-phenylpropyl)propanamide IUPAC Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide Traditional Name: 2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]-N-(2-phenylpropyl)propionamide Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)NCC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SC(C)C(=O)NCC(C)C3=CC=CC=C3

InChI

InChI=1S/C21H30N4OS/c1-15(18-10-6-4-7-11-18)14-22-20(26)16(2)27-21-24-23-17(3)25(21)19-12-8-5-9-13-19/h4,6-7,10-11,15-16,19H,5,8-9,12-14H2,1-3H3,(H,22,26)