N-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-phenothiazin-10-yl-ethanamide

Systemtic Name: N-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-phenothiazin-10-yl-ethanamide Openeye Name: N-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-2-phenothiazin-10-yl-acetamide CAS Name: N-[(E)-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-(10-phenothiazinyl)acetamide IUPAC Name: N-[(E)-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-phenothiazin-10-ylacetamide Traditional Name: N-[(E)-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyleneamino]-2-phenothiazin-10-yl-acetamide Formula: C30H22N6O3S MolecularWeight: 546.59908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C=NNC(=O)CN4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])/C=N/NC(=O)CN4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C30H22N6O3S/c37-29(20-34-25-10-4-6-12-27(25)40-28-13-7-5-11-26(28)34)32-31-18-22-19-35(23-8-2-1-3-9-23)33-30(22)21-14-16-24(17-15-21)36(38)39/h1-19H,20H2,(H,32,37)/b31-18+