(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[[3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]-3-oxobutanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-[[4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]butyronitrile Formula: C27H20N4O3S2 MolecularWeight: 512.6027

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(=C4NC5=CC=CC=C5S4)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)/C(=C/4\NC5=CC=CC=C5S4)/C#N

InChI

InChI=1S/C27H20N4O3S2/c1-16-11-12-23(34-2)21(13-16)31-26(33)17-7-3-4-8-19(17)30-27(31)35-15-22(32)18(14-28)25-29-20-9-5-6-10-24(20)36-25/h3-13,29H,15H2,1-2H3/b25-18+