3-[(2-methylquinazolin-4-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(2-methylquinazolin-4-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(2-methylquinazolin-4-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(2-methyl-4-quinazolinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(2-methylquinazolin-4-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(2-methylquinazolin-4-yl)thio]methyl]benzonitrile Formula: C17H13N3S MolecularWeight: 291.37022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H13N3S/c1-12-19-16-8-3-2-7-15(16)17(20-12)21-11-14-6-4-5-13(9-14)10-18/h2-9H,11H2,1H3