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

Systemtic Name: N-[(E)-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methylideneamino]-2-phenothiazin-10-yl-ethanamide Openeye Name: 2-phenothiazin-10-yl-N-[(E)-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyleneamino]acetamide CAS Name: N-[(E)-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]-2-(10-phenothiazinyl)acetamide IUPAC Name: N-[(E)-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-phenothiazin-10-ylacetamide Traditional Name: 2-phenothiazin-10-yl-N-[(E)-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyleneamino]acetamide Formula: C31H25N5OS MolecularWeight: 515.6281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=NNC(=O)CN3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)CN3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6

InChI

InChI=1S/C31H25N5OS/c1-22-15-17-23(18-16-22)31-24(20-36(34-31)25-9-3-2-4-10-25)19-32-33-30(37)21-35-26-11-5-7-13-28(26)38-29-14-8-6-12-27(29)35/h2-20H,21H2,1H3,(H,33,37)/b32-19+