3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-ethyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-ethyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(6-ethyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-ethyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(6-ethyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C22H23N5O2S2 MolecularWeight: 453.58032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=NNC3=S)C4=CC=C(C=C4)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=NNC3=S)C4=CC=C(C=C4)OCC

InChI

InChI=1S/C22H23N5O2S2/c1-3-14-5-10-17-18(13-14)31-21(23-17)24-19(28)11-12-27-20(25-26-22(27)30)15-6-8-16(9-7-15)29-4-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,26,30)(H,23,24,28)