3-[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: 3-[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: 3-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanylpropanenitrile CAS Name: 3-[[7-chloro-3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: 3-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: 3-[[7-chloro-4-keto-3-(m-tolyl)quinazolin-2-yl]thio]propionitrile Formula: C18H14ClN3OS MolecularWeight: 355.84126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCC#N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCCC#N

InChI

InChI=1S/C18H14ClN3OS/c1-12-4-2-5-14(10-12)22-17(23)15-7-6-13(19)11-16(15)21-18(22)24-9-3-8-20/h2,4-7,10-11H,3,9H2,1H3