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

Systemtic Name: N-[(3-methylphenyl)methylsulfanyl]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: N-(m-tolylmethylsulfanyl)-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: N-[(3-methylphenyl)methylthio]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: N-[(3-methylphenyl)methylsulfanyl]-4-phenyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: N-[(3-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=C1)CSN(C2=NC=NN2)C(=O)CCC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CSN(C2=NC=NN2)C(=O)CCC(C)C3=CC=CC=C3

InChI

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