3-[(E)-[1-(4-chlorophenyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-[(E)-[1-(4-chlorophenyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-[(E)-[1-(4-chlorophenyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-2-thioxo-quinazolin-4-olate CAS Name: 3-[(E)-[1-(4-chlorophenyl)-3-phenyl-4-pyrazolyl]methylideneamino]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-[(E)-[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]methylideneamino]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-[(E)-[1-(4-chlorophenyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-2-thioxo-quinazolin-4-olate Formula: C24H15ClN5OS- MolecularWeight: 456.9268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NN3C(=C4C=CC=CC4=NC3=S)[O-])C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N/N3C(=C4C=CC=CC4=NC3=S)[O-])C5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H16ClN5OS/c25-18-10-12-19(13-11-18)29-15-17(22(28-29)16-6-2-1-3-7-16)14-26-30-23(31)20-8-4-5-9-21(20)27-24(30)32/h1-15,31H/p-1/b26-14+