2-[[3-(7-methyloctyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[3-(7-methyloctyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[3-(7-methyloctyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[3-(7-methyloctyl)-4-oxo-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[3-(7-methyloctyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-keto-3-(7-methyloctyl)quinazolin-2-yl]thio]methyl]benzonitrile Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC=CC=C3C#N

InChI

InChI=1S/C25H29N3OS/c1-19(2)11-5-3-4-10-16-28-24(29)22-14-8-9-15-23(22)27-25(28)30-18-21-13-7-6-12-20(21)17-26/h6-9,12-15,19H,3-5,10-11,16,18H2,1-2H3