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

Systemtic Name: (Z)-3-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-4aH-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (Z)-3-[3-(4-butylsulfanylphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxo-4aH-quinazolin-2-yl)prop-2-enenitrile CAS Name: (Z)-3-[3-[4-(butylthio)phenyl]-1-phenyl-4-pyrazolyl]-2-(4-oxo-4aH-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (Z)-3-[3-(4-butylsulfanylphenyl)-1-phenylpyrazol-4-yl]-2-(4-oxo-4aH-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (Z)-3-[3-[4-(butylthio)phenyl]-1-phenyl-pyrazol-4-yl]-2-(4-keto-4aH-quinazolin-2-yl)acrylonitrile Formula: C30H25N5OS MolecularWeight: 503.6174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4C=CC=CC4=N3)C5=CC=CC=C5

Isomeric SMILES

CCCCSC1=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/C30H25N5OS/c1-2-3-17-37-25-15-13-21(14-16-25)28-23(20-35(34-28)24-9-5-4-6-10-24)18-22(19-31)29-32-27-12-8-7-11-26(27)30(36)33-29/h4-16,18,20,26H,2-3,17H2,1H3/b22-18-