N-(2-methylpropyl)-2-phenacylsulfanyl-N-(1H-1,2,4-triazol-5-yl)pentanamide

Systemtic Name: N-(2-methylpropyl)-2-phenacylsulfanyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Openeye Name: N-isobutyl-2-phenacylsulfanyl-N-(1H-1,2,4-triazol-5-yl)pentanamide CAS Name: N-(2-methylpropyl)-2-(phenacylthio)-N-(1H-1,2,4-triazol-5-yl)pentanamide IUPAC Name: N-(2-methylpropyl)-2-phenacylsulfanyl-N-(1H-1,2,4-triazol-5-yl)pentanamide Traditional Name: N-isobutyl-2-(phenacylthio)-N-(1H-1,2,4-triazol-5-yl)valeramide Formula: C19H26N4O2S MolecularWeight: 374.50034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2S/c1-4-8-17(26-12-16(24)15-9-6-5-7-10-15)18(25)23(11-14(2)3)19-20-13-21-22-19/h5-7,9-10,13-14,17H,4,8,11-12H2,1-3H3,(H,20,21,22)