(2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-pentanenitrile CAS Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-3-oxopentanenitrile IUPAC Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxopentanenitrile Traditional Name: (2E)-2-(3H-1,3-benzothiazol-2-ylidene)-3-keto-4-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]valeronitrile Formula: C26H19N5O2S2 MolecularWeight: 497.59136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)C(=C4NC5=CC=CC=C5S4)C#N

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)/C(=C/4\NC5=CC=CC=C5S4)/C#N

InChI

InChI=1S/C26H19N5O2S2/c1-15-11-12-28-22(13-15)31-25(33)17-7-3-4-8-19(17)30-26(31)34-16(2)23(32)18(14-27)24-29-20-9-5-6-10-21(20)35-24/h3-13,16,29H,1-2H3/b24-18+