N-heptan-2-yl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: N-heptan-2-yl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(1-methylhexyl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-heptan-2-yl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-heptan-2-yl-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(1-methylhexyl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CN1C(=NNC1=S)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCCC(C)NC(=O)CN1C(=NNC1=S)C2=CC(=CC=C2)C

InChI

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