2-(1-carbazol-9-yl-1-oxidanylidene-butan-2-yl)sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile

Systemtic Name: 2-(1-carbazol-9-yl-1-oxidanylidene-butan-2-yl)sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Openeye Name: 2-[1-(carbazole-9-carbonyl)propylsulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile CAS Name: 2-[[1-(9-carbazolyl)-1-oxobutan-2-yl]thio]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile IUPAC Name: 2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Traditional Name: 2-[1-(carbazole-9-carbonyl)propylthio]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile Formula: C28H27N3OS MolecularWeight: 453.59848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2C3=CC=CC=C31)SC4=NC5=C(CCCCCC5)C=C4C#N

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2C3=CC=CC=C31)SC4=NC5=C(CCCCCC5)C=C4C#N

InChI

InChI=1S/C28H27N3OS/c1-2-26(33-27-20(18-29)17-19-11-5-3-4-6-14-23(19)30-27)28(32)31-24-15-9-7-12-21(24)22-13-8-10-16-25(22)31/h7-10,12-13,15-17,26H,2-6,11,14H2,1H3