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

Systemtic Name: 3-[methyl-[4-[(Z)-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-methyl-4-[(Z)-(4-oxo-2-thioxo-1H-quinazolin-3-yl)iminomethyl]anilino]propanenitrile CAS Name: 3-[N-methyl-4-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]anilino]propanenitrile IUPAC Name: 3-[N-methyl-4-[(Z)-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)iminomethyl]anilino]propanenitrile Traditional Name: 3-[4-[(Z)-(4-keto-2-thioxo-1H-quinazolin-3-yl)iminomethyl]-N-methyl-anilino]propionitrile Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=CC=C(C=C1)C=NN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CN(CCC#N)C1=CC=C(C=C1)/C=N\N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C19H17N5OS/c1-23(12-4-11-20)15-9-7-14(8-10-15)13-21-24-18(25)16-5-2-3-6-17(16)22-19(24)26/h2-3,5-10,13H,4,12H2,1H3,(H,22,26)/b21-13-