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

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Openeye Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one CAS Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Traditional Name: 2-[2-[4-(1,3-benzodioxol-5-yl)-5-thioxo-1H-1,2,4-triazol-3-yl]ethyl]phthalazin-1-one Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CCN4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CCN4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C19H15N5O3S/c25-18-14-4-2-1-3-12(14)10-20-23(18)8-7-17-21-22-19(28)24(17)13-5-6-15-16(9-13)27-11-26-15/h1-6,9-10H,7-8,11H2,(H,22,28)