N-[(E)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methylideneamino]phthalazin-1-amine

Systemtic Name: N-[(E)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methylideneamino]phthalazin-1-amine Openeye Name: N-[(E)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methyleneamino]phthalazin-1-amine CAS Name: N-[(E)-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]methylideneamino]-1-phthalazinamine IUPAC Name: N-[(E)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]methylideneamino]phthalazin-1-amine Traditional Name: [(E)-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-benzylidene]amino]-phthalazin-1-yl-amine Formula: C19H15N7O2S MolecularWeight: 405.4331

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)C=NNC3=NN=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)/C=N/NC3=NN=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C19H15N7O2S/c1-25-9-8-20-19(25)29-17-7-6-13(10-16(17)26(27)28)11-21-23-18-15-5-3-2-4-14(15)12-22-24-18/h2-12H,1H3,(H,23,24)/b21-11+