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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(5-methylhexan-2-yl)propanamide Openeye Name: N-(1,4-dimethylpentyl)-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(5-methylhexan-2-yl)propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(5-methylhexan-2-yl)propanamide Traditional Name: N-(1,4-dimethylpentyl)-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)NC(C)CCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O2S/c1-5-26-17-10-8-16(9-11-17)19-22-23-20(27)24(19)13-12-18(25)21-15(4)7-6-14(2)3/h8-11,14-15H,5-7,12-13H2,1-4H3,(H,21,25)(H,23,27)