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

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-4-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: 2-(m-tolylmethylsulfanyl)-4-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 2-[(3-methylphenyl)methylthio]-4-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-4-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 2-[(3-methylbenzyl)thio]-4-phenyl-N-propyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=NC=NN1)C(=O)C(CC(C)C2=CC=CC=C2)SCC3=CC=CC(=C3)C

Isomeric SMILES

CCCN(C1=NC=NN1)C(=O)C(CC(C)C2=CC=CC=C2)SCC3=CC=CC(=C3)C

InChI

InChI=1S/C24H30N4OS/c1-4-13-28(24-25-17-26-27-24)23(29)22(15-19(3)21-11-6-5-7-12-21)30-16-20-10-8-9-18(2)14-20/h5-12,14,17,19,22H,4,13,15-16H2,1-3H3,(H,25,26,27)