3-[4-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(Z)-(4-oxo-2-thioxo-1H-quinazolin-3-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(Z)-(4-keto-2-thioxo-1H-quinazolin-3-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C21H16N6OS MolecularWeight: 400.45634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=NN3C(=O)C4=CC=CC=C4NC3=S)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2/C=N\N3C(=O)C4=CC=CC=C4NC3=S)CCC#N

InChI

InChI=1S/C21H16N6OS/c22-11-6-12-26-14-16(19(25-26)15-7-2-1-3-8-15)13-23-27-20(28)17-9-4-5-10-18(17)24-21(27)29/h1-5,7-10,13-14H,6,12H2,(H,24,29)/b23-13-