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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: N-propyl-2-(p-tolylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: 2-[(4-methylphenyl)methylthio]-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-N-propyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: 2-[(4-methylbenzyl)thio]-N-propyl-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N(CCC)C1=NC=NN1)SCC2=CC=C(C=C2)C

Isomeric SMILES

CCCC(C(=O)N(CCC)C1=NC=NN1)SCC2=CC=C(C=C2)C

InChI

InChI=1S/C18H26N4OS/c1-4-6-16(24-12-15-9-7-14(3)8-10-15)17(23)22(11-5-2)18-19-13-20-21-18/h7-10,13,16H,4-6,11-12H2,1-3H3,(H,19,20,21)