(Z)-2-(4-oxidanylidene-4aH-quinazolin-2-yl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (Z)-2-(4-oxidanylidene-4aH-quinazolin-2-yl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (Z)-2-(4-oxo-4aH-quinazolin-2-yl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile CAS Name: (Z)-2-(4-oxo-4aH-quinazolin-2-yl)-3-[1-phenyl-3-[4-(propylthio)phenyl]-4-pyrazolyl]-2-propenenitrile IUPAC Name: (Z)-2-(4-oxo-4aH-quinazolin-2-yl)-3-[1-phenyl-3-(4-propylsulfanylphenyl)pyrazol-4-yl]prop-2-enenitrile Traditional Name: (Z)-2-(4-keto-4aH-quinazolin-2-yl)-3-[1-phenyl-3-[4-(propylthio)phenyl]pyrazol-4-yl]acrylonitrile Formula: C29H23N5OS MolecularWeight: 489.59082

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4C=CC=CC4=N3)C5=CC=CC=C5

Isomeric SMILES

CCCSC1=CC=C(C=C1)C2=NN(C=C2/C=C(/C#N)\C3=NC(=O)C4C=CC=CC4=N3)C5=CC=CC=C5

InChI

InChI=1S/C29H23N5OS/c1-2-16-36-24-14-12-20(13-15-24)27-22(19-34(33-27)23-8-4-3-5-9-23)17-21(18-30)28-31-26-11-7-6-10-25(26)29(35)32-28/h3-15,17,19,25H,2,16H2,1H3/b21-17-