2-[[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]indol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-ethenyl]indol-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyano-vinyl]indol-1-yl]methyl]benzonitrile CAS Name: 2-[[3-[2-(1,3-benzothiazol-2-ylthio)-2-cyanoethenyl]-1-indolyl]methyl]benzonitrile IUPAC Name: 2-[[3-[2-(1,3-benzothiazol-2-ylsulfanyl)-2-cyanoethenyl]indol-1-yl]methyl]benzonitrile Traditional Name: 2-[[3-[2-(1,3-benzothiazol-2-ylthio)-2-cyano-vinyl]indol-1-yl]methyl]benzonitrile Formula: C26H16N4S2 MolecularWeight: 448.56204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)SC4=NC5=CC=CC=C5S4)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)SC4=NC5=CC=CC=C5S4)C#N

InChI

InChI=1S/C26H16N4S2/c27-14-18-7-1-2-8-19(18)16-30-17-20(22-9-3-5-11-24(22)30)13-21(15-28)31-26-29-23-10-4-6-12-25(23)32-26/h1-13,17H,16H2