N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazol-5-yl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[3-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[3-[(4-chlorobenzyl)thio]-1H-1,2,4-triazol-5-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C19H15ClN6O2S MolecularWeight: 426.8794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=NN3)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=NN3)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H15ClN6O2S/c1-26-17(28)14-5-3-2-4-13(14)15(25-26)16(27)21-18-22-19(24-23-18)29-10-11-6-8-12(20)9-7-11/h2-9H,10H2,1H3,(H2,21,22,23,24,27)