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

Systemtic Name: N-[(2-methylphenyl)methylsulfanyl]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: N-(o-tolylmethylsulfanyl)-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: N-[(2-methylphenyl)methylthio]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: N-[(2-methylphenyl)methylsulfanyl]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: N-[(2-methylbenzyl)thio]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSN(C2=NC=NN2)C(=O)CCC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CSN(C2=NC=NN2)C(=O)CCC(C)C3=CC=CC=C3

InChI

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