2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)thio]methyl]benzonitrile Formula: C17H17N3S MolecularWeight: 295.40198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1CCCC2)SCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=NC(=NC2=C1CCCC2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C17H17N3S/c1-12-15-8-4-5-9-16(15)20-17(19-12)21-11-14-7-3-2-6-13(14)10-18/h2-3,6-7H,4-5,8-9,11H2,1H3