7,8-dimethoxy-2-[2-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]phthalazin-1-one

Systemtic Name: 7,8-dimethoxy-2-[2-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]phthalazin-1-one Openeye Name: 2-[2-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)ethyl]-7,8-dimethoxy-phthalazin-1-one CAS Name: 7,8-dimethoxy-2-[2-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1-phthalazinone IUPAC Name: 7,8-dimethoxy-2-[2-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]phthalazin-1-one Traditional Name: 2-[2-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)ethyl]-7,8-dimethoxy-phthalazin-1-one Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=NN(C2=O)CCC3=NNC(=S)N3CC=C)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=NN(C2=O)CCC3=NNC(=S)N3CC=C)OC

InChI

InChI=1S/C17H19N5O3S/c1-4-8-21-13(19-20-17(21)26)7-9-22-16(23)14-11(10-18-22)5-6-12(24-2)15(14)25-3/h4-6,10H,1,7-9H2,2-3H3,(H,20,26)