3-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 3-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 3-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: 3-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]propionitrile Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCC#N

InChI

InChI=1S/C18H15N3O2S/c1-23-14-9-7-13(8-10-14)21-17(22)15-5-2-3-6-16(15)20-18(21)24-12-4-11-19/h2-3,5-10H,4,12H2,1H3