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

Systemtic Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylbutan-2-yl)propanamide Openeye Name: N-(1-methyl-3-phenyl-propyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-phenylbutan-2-yl)propanamide IUPAC Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylbutan-2-yl)propanamide Traditional Name: N-(1-methyl-3-phenyl-propyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)C(C)SC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-16(14-15-18-10-6-4-7-11-18)23-21(27)17(2)28-22-25-24-20(26(22)3)19-12-8-5-9-13-19/h4-13,16-17H,14-15H2,1-3H3,(H,23,27)