4-[2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-4-oxidanylidene-pyrido[3,2-d]pyrimidin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(5-chloranyl-1-benzothiophen-3-yl)methylsulfanyl]-4-oxidanylidene-pyrido[3,2-d]pyrimidin-3-yl]benzenecarbonitrile Openeye Name: 4-[2-[(5-chlorobenzothiophen-3-yl)methylsulfanyl]-4-oxo-pyrido[3,2-d]pyrimidin-3-yl]benzonitrile CAS Name: 4-[2-[(5-chloro-1-benzothiophen-3-yl)methylthio]-4-oxo-3-pyrido[3,2-d]pyrimidinyl]benzonitrile IUPAC Name: 4-[2-[(5-chloro-1-benzothiophen-3-yl)methylsulfanyl]-4-oxopyrido[3,2-d]pyrimidin-3-yl]benzonitrile Traditional Name: 4-[2-[(5-chlorobenzothiophen-3-yl)methylthio]-4-keto-pyrido[3,2-d]pyrimidin-3-yl]benzonitrile Formula: C23H13ClN4OS2 MolecularWeight: 460.95852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=O)N(C(=N2)SCC3=CSC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)C#N)N=C1

Isomeric SMILES

C1=CC2=C(C(=O)N(C(=N2)SCC3=CSC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)C#N)N=C1

InChI

InChI=1S/C23H13ClN4OS2/c24-16-5-8-20-18(10-16)15(12-30-20)13-31-23-27-19-2-1-9-26-21(19)22(29)28(23)17-6-3-14(11-25)4-7-17/h1-10,12H,13H2