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

Systemtic Name: 2-[[4-(2-bromanyl-4-methyl-phenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Openeye Name: 2-[[4-(2-bromo-4-methyl-phenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one CAS Name: 2-[[4-(2-bromo-4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]-1-phthalazinone IUPAC Name: 2-[[4-(2-bromo-4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Traditional Name: 2-[[4-(2-bromo-4-methyl-phenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]methyl]phthalazin-1-one Formula: C18H14BrN5OS MolecularWeight: 428.30566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NNC2=S)CN3C(=O)C4=CC=CC=C4C=N3)Br

InChI

InChI=1S/C18H14BrN5OS/c1-11-6-7-15(14(19)8-11)24-16(21-22-18(24)26)10-23-17(25)13-5-3-2-4-12(13)9-20-23/h2-9H,10H2,1H3,(H,22,26)