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

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C17H12ClN5OS MolecularWeight: 369.82808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CC3=NNC(=S)N3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H12ClN5OS/c18-12-5-7-13(8-6-12)23-15(20-21-17(23)25)10-22-16(24)14-4-2-1-3-11(14)9-19-22/h1-9H,10H2,(H,21,25)