2-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one

Systemtic Name: 2-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one Openeye Name: 2-[2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl]sulfanyl-3-(5-methyl-2-pyridyl)quinazolin-4-one CAS Name: 2-[[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]thio]-3-(5-methyl-2-pyridinyl)-4-quinazolinone IUPAC Name: 2-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]sulfanyl-3-(5-methylpyridin-2-yl)quinazolin-4-one Traditional Name: 2-[[2-keto-2-(3-methylbenzothiophen-2-yl)ethyl]thio]-3-(5-methyl-2-pyridyl)quinazolin-4-one Formula: C25H19N3O2S2 MolecularWeight: 457.56726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(C5=CC=CC=C5S4)C

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(C5=CC=CC=C5S4)C

InChI

InChI=1S/C25H19N3O2S2/c1-15-11-12-22(26-13-15)28-24(30)18-8-3-5-9-19(18)27-25(28)31-14-20(29)23-16(2)17-7-4-6-10-21(17)32-23/h3-13H,14H2,1-2H3