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

Systemtic Name: N-(3,3-dimethyl-1-phenyl-butyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(3,3-dimethyl-1-phenyl-butyl)-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(3,3-dimethyl-1-phenylbutyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3,3-dimethyl-1-phenylbutyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(3,3-dimethyl-1-phenyl-butyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC(CC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC(CC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C25H32N4O2S/c1-5-31-20-13-11-19(12-14-20)23-27-28-24(32)29(23)16-15-22(30)26-21(17-25(2,3)4)18-9-7-6-8-10-18/h6-14,21H,5,15-17H2,1-4H3,(H,26,30)(H,28,32)