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

Systemtic Name: 7,8-dimethoxy-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Openeye Name: 7,8-dimethoxy-2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one CAS Name: 7,8-dimethoxy-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-phthalazinone IUPAC Name: 7,8-dimethoxy-2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Traditional Name: 7,8-dimethoxy-2-[(4-phenyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Formula: C19H17N5O3S MolecularWeight: 395.43498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=CC=C4)OC

InChI

InChI=1S/C19H17N5O3S/c1-26-14-9-8-12-10-20-23(18(25)16(12)17(14)27-2)11-15-21-22-19(28)24(15)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,22,28)