2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-4-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-butanenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-4-[4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-butanenitrile Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-4-[[4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]butanenitrile IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-4-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylbutanenitrile Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-4-[(4-keto-3-o-cumenyl-quinazolin-2-yl)thio]butyronitrile Formula: C28H22N4O2S2 MolecularWeight: 510.62988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C#N)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C#N)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H22N4O2S2/c1-17(2)18-9-4-7-13-23(18)32-27(34)19-10-3-5-11-21(19)31-28(32)35-16-24(33)20(15-29)26-30-22-12-6-8-14-25(22)36-26/h3-14,17,20H,16H2,1-2H3