6-butyl-2-(1-carbazol-9-yl-1-oxidanylidene-butan-2-yl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-butyl-2-(1-carbazol-9-yl-1-oxidanylidene-butan-2-yl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-butyl-2-[1-(carbazole-9-carbonyl)propylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-butyl-2-[[1-(9-carbazolyl)-1-oxobutan-2-yl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-butyl-2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 6-butyl-2-[1-(carbazole-9-carbonyl)propylthio]nicotinonitrile Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)N2C3=CC=CC=C3C4=CC=CC=C42

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SC(CC)C(=O)N2C3=CC=CC=C3C4=CC=CC=C42

InChI

InChI=1S/C26H25N3OS/c1-3-5-10-19-16-15-18(17-27)25(28-19)31-24(4-2)26(30)29-22-13-8-6-11-20(22)21-12-7-9-14-23(21)29/h6-9,11-16,24H,3-5,10H2,1-2H3