4-methyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-nitro-phenyl]phthalazin-1-one

Systemtic Name: 4-methyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-nitro-phenyl]phthalazin-1-one Openeye Name: 4-methyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-nitro-phenyl]phthalazin-1-one CAS Name: 4-methyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-nitrophenyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-nitrophenyl]phthalazin-1-one Traditional Name: 4-methyl-2-[5-[(4-methyl-1,2,4-triazol-3-yl)thio]-2-nitro-phenyl]phthalazin-1-one Formula: C18H14N6O3S MolecularWeight: 394.40716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)SC4=NN=CN4C)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=C(C=CC(=C3)SC4=NN=CN4C)[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O3S/c1-11-13-5-3-4-6-14(13)17(25)23(21-11)16-9-12(7-8-15(16)24(26)27)28-18-20-19-10-22(18)2/h3-10H,1-2H3