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

Systemtic Name: 7,8-dimethoxy-2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Openeye Name: 7,8-dimethoxy-2-[(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one CAS Name: 7,8-dimethoxy-2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-phthalazinone IUPAC Name: 7,8-dimethoxy-2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Traditional Name: 7,8-dimethoxy-2-[(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NNC1=S)CN2C(=O)C3=C(C=CC(=C3OC)OC)C=N2

Isomeric SMILES

CN1C(=NNC1=S)CN2C(=O)C3=C(C=CC(=C3OC)OC)C=N2

InChI

InChI=1S/C14H15N5O3S/c1-18-10(16-17-14(18)23)7-19-13(20)11-8(6-15-19)4-5-9(21-2)12(11)22-3/h4-6H,7H2,1-3H3,(H,17,23)