N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H17N5O3S2 MolecularWeight: 451.52138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NC3=NC(=CS3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N5O3S2/c1-12-2-4-13(5-3-12)19-24-25-21(30)26(19)9-18(27)23-20-22-15(10-31-20)14-6-7-16-17(8-14)29-11-28-16/h2-8,10H,9,11H2,1H3,(H,25,30)(H,22,23,27)