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

Systemtic Name: 2-[[4-(2,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(2,4-dichlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(2,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(2,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(2,4-dichlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C17H11Cl2N5OS MolecularWeight: 404.27314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11Cl2N5OS/c18-11-5-6-14(13(19)7-11)24-15(21-22-17(24)26)9-23-16(25)12-4-2-1-3-10(12)8-20-23/h1-8H,9H2,(H,22,26)