3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-(4-methylpentan-2-yl)propanamide

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-(4-methylpentan-2-yl)propanamide Openeye Name: N-(1,3-dimethylbutyl)-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-(4-methylpentan-2-yl)propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-N-(4-methylpentan-2-yl)propanamide Traditional Name: N-(1,3-dimethylbutyl)-N-methyl-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2S/c1-6-26-17-9-7-16(8-10-17)19-21-22-20(27)24(19)12-11-18(25)23(5)15(4)13-14(2)3/h7-10,14-15H,6,11-13H2,1-5H3,(H,22,27)