N-(5-methylhexan-2-yl)-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-methylhexan-2-yl)-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1,4-dimethylpentyl)-2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(5-methylhexan-2-yl)-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(5-methylhexan-2-yl)-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1,4-dimethylpentyl)-2-[[4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC(C)CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NC(C)CCC(C)C

InChI

InChI=1S/C18H26N4OS/c1-13(2)5-8-15(4)20-17(23)11-24-18-21-19-12-22(18)16-9-6-14(3)7-10-16/h6-7,9-10,12-13,15H,5,8,11H2,1-4H3,(H,20,23)