2-[(3-methylphenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide Openeye Name: 2-(m-tolylmethylsulfanyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide CAS Name: 2-[(3-methylphenyl)methylthio]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide Traditional Name: 2-[(3-methylbenzyl)thio]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propionamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC(C)C(=O)N(CCC2=CC=CC=C2)C3=NC=NN3

Isomeric SMILES

CC1=CC(=CC=C1)CSC(C)C(=O)N(CCC2=CC=CC=C2)C3=NC=NN3

InChI

InChI=1S/C21H24N4OS/c1-16-7-6-10-19(13-16)14-27-17(2)20(26)25(21-22-15-23-24-21)12-11-18-8-4-3-5-9-18/h3-10,13,15,17H,11-12,14H2,1-2H3,(H,22,23,24)