4-[3-(7-methyloctyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-(1-methylpyridin-4-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[3-(7-methyloctyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-(1-methylpyridin-4-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-[3-(7-methyloctyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-(1-methyl-4-pyridylidene)-3-oxo-butanenitrile CAS Name: 4-[[3-(7-methyloctyl)-4-oxo-2-quinazolinyl]thio]-2-(1-methyl-4-pyridinylidene)-3-oxobutanenitrile IUPAC Name: 4-[3-(7-methyloctyl)-4-oxoquinazolin-2-yl]sulfanyl-2-(1-methylpyridin-4-ylidene)-3-oxobutanenitrile Traditional Name: 3-keto-4-[[4-keto-3-(7-methyloctyl)quinazolin-2-yl]thio]-2-(1-methyl-4-pyridylidene)butyronitrile Formula: C27H32N4O2S MolecularWeight: 476.63358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(=C3C=CN(C=C3)C)C#N

Isomeric SMILES

CC(C)CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C(=C3C=CN(C=C3)C)C#N

InChI

InChI=1S/C27H32N4O2S/c1-20(2)10-6-4-5-9-15-31-26(33)22-11-7-8-12-24(22)29-27(31)34-19-25(32)23(18-28)21-13-16-30(3)17-14-21/h7-8,11-14,16-17,20H,4-6,9-10,15,19H2,1-3H3