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

Systemtic Name: N-(cyclohexylmethyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methyl-propanamide Openeye Name: N-(cyclohexylmethyl)-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-methyl-propanamide CAS Name: N-(cyclohexylmethyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methylpropanamide IUPAC Name: N-(cyclohexylmethyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-methylpropanamide Traditional Name: N-(cyclohexylmethyl)-N-methyl-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3CCCCC3

InChI

InChI=1S/C21H30N4O2S/c1-3-27-18-11-9-17(10-12-18)20-22-23-21(28)25(20)14-13-19(26)24(2)15-16-7-5-4-6-8-16/h9-12,16H,3-8,13-15H2,1-2H3,(H,23,28)