2-[[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C18H13N5O3S MolecularWeight: 379.39252

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C18H13N5O3S/c24-17-13-4-2-1-3-11(13)8-19-22(17)9-16-20-21-18(27)23(16)12-5-6-14-15(7-12)26-10-25-14/h1-8H,9-10H2,(H,21,27)