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

Systemtic Name: N-(3,3-dimethyl-1-phenyl-butyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(3,3-dimethyl-1-phenyl-butyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(3,3-dimethyl-1-phenylbutyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3,3-dimethyl-1-phenylbutyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(3,3-dimethyl-1-phenyl-butyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4OS/c1-17-9-8-12-19(15-17)22-26-27-23(30)28(22)14-13-21(29)25-20(16-24(2,3)4)18-10-6-5-7-11-18/h5-12,15,20H,13-14,16H2,1-4H3,(H,25,29)(H,27,30)