2-(1-carbazol-9-yl-1-oxidanylidene-butan-2-yl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-(1-carbazol-9-yl-1-oxidanylidene-butan-2-yl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-[1-(carbazole-9-carbonyl)propylsulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-[[1-(9-carbazolyl)-1-oxobutan-2-yl]thio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-[1-(carbazole-9-carbonyl)propylthio]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C27H25N3OS MolecularWeight: 439.5719

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2C3=CC=CC=C31)SC4=NC5=C(CCCCC5)C=C4C#N

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2C3=CC=CC=C31)SC4=NC5=C(CCCCC5)C=C4C#N

InChI

InChI=1S/C27H25N3OS/c1-2-25(32-26-19(17-28)16-18-10-4-3-5-13-22(18)29-26)27(31)30-23-14-8-6-11-20(23)21-12-7-9-15-24(21)30/h6-9,11-12,14-16,25H,2-5,10,13H2,1H3