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

Systemtic Name: 2-[(2-methylphenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide Openeye Name: 2-(o-tolylmethylsulfanyl)-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide CAS Name: 2-[(2-methylphenyl)methylthio]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide IUPAC Name: 2-[(2-methylphenyl)methylsulfanyl]-N-phenethyl-N-(1H-1,2,4-triazol-5-yl)propanamide Traditional Name: 2-[(2-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=C1CSC(C)C(=O)N(CCC2=CC=CC=C2)C3=NC=NN3

Isomeric SMILES

CC1=CC=CC=C1CSC(C)C(=O)N(CCC2=CC=CC=C2)C3=NC=NN3

InChI

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