5-[[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C27H18N6OS MolecularWeight: 474.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C#N)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N)C5=CC=CC=C5

InChI

InChI=1S/C27H18N6OS/c1-18-23(16-29)25(33(31-18)21-7-3-2-4-8-21)17-35-27-30-24-10-6-5-9-22(24)26(34)32(27)20-13-11-19(15-28)12-14-20/h2-14H,17H2,1H3