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

Systemtic Name: 2-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Openeye Name: 2-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one CAS Name: 2-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-phthalazinone IUPAC Name: 2-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Traditional Name: 2-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]phthalazin-1-one Formula: C11H10N6OS MolecularWeight: 274.3017

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CC3=NNC(=S)N3N

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CC3=NNC(=S)N3N

InChI

InChI=1S/C11H10N6OS/c12-17-9(14-15-11(17)19)6-16-10(18)8-4-2-1-3-7(8)5-13-16/h1-5H,6,12H2,(H,15,19)