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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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