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

Systemtic Name: N-(4-methylpentyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-isohexyl-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(4-methylpentyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(4-methylpentyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-isohexyl-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCCC(C)C

InChI

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