1-[4-[3-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone

Systemtic Name: 1-[4-[3-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Openeye Name: 1-[4-[3-(1,3-benzodioxol-5-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone CAS Name: 1-[4-[3-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone IUPAC Name: 1-[4-[3-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]phenyl]ethanone Traditional Name: 1-[4-[3-(1,3-benzodioxol-5-yl)-5-thioxo-1H-1,2,4-triazol-4-yl]phenyl]ethanone Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H13N3O3S/c1-10(21)11-2-5-13(6-3-11)20-16(18-19-17(20)24)12-4-7-14-15(8-12)23-9-22-14/h2-8H,9H2,1H3,(H,19,24)