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

Systemtic Name: N-(3-methoxypropyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: N-(3-methoxypropyl)-2-(p-tolylmethylsulfanyl)-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: N-(3-methoxypropyl)-2-[(4-methylphenyl)methylthio]-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: N-(3-methoxypropyl)-2-[(4-methylphenyl)methylsulfanyl]-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: N-(3-methoxypropyl)-2-[(4-methylbenzyl)thio]-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O2S/c1-4-6-17(26-13-16-9-7-15(2)8-10-16)18(24)23(11-5-12-25-3)19-20-14-21-22-19/h7-10,14,17H,4-6,11-13H2,1-3H3,(H,20,21,22)