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

Systemtic Name: 7,8-dimethoxy-2-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Openeye Name: 2-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-7,8-dimethoxy-phthalazin-1-one CAS Name: 7,8-dimethoxy-2-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-phthalazinone IUPAC Name: 7,8-dimethoxy-2-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Traditional Name: 2-[(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-7,8-dimethoxy-phthalazin-1-one Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=NN(C2=O)CC3=NNC(=S)N3CC=C)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=NN(C2=O)CC3=NNC(=S)N3CC=C)OC

InChI

InChI=1S/C16H17N5O3S/c1-4-7-20-12(18-19-16(20)25)9-21-15(22)13-10(8-17-21)5-6-11(23-2)14(13)24-3/h4-6,8H,1,7,9H2,2-3H3,(H,19,25)