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

Systemtic Name: N-(3-methyl-2-phenyl-butyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(3-methyl-2-phenyl-butyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(3-methyl-2-phenylbutyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3-methyl-2-phenylbutyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(3-methyl-2-phenyl-butyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCC(C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCC(C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C23H28N4OS/c1-16(2)20(18-9-5-4-6-10-18)15-24-21(28)12-13-27-22(25-26-23(27)29)19-11-7-8-17(3)14-19/h4-11,14,16,20H,12-13,15H2,1-3H3,(H,24,28)(H,26,29)