N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C20H19N5O2S2 MolecularWeight: 425.52716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=NNC3=S)C4=CC(=CC=C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=NNC3=S)C4=CC(=CC=C4)C

InChI

InChI=1S/C20H19N5O2S2/c1-3-27-14-7-8-15-16(10-14)29-19(21-15)22-17(26)11-25-18(23-24-20(25)28)13-6-4-5-12(2)9-13/h4-10H,3,11H2,1-2H3,(H,24,28)(H,21,22,26)