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

Systemtic Name: 2-(1-carbazol-9-yl-1-oxidanylidene-butan-2-yl)sulfanyl-6-propan-2-yl-pyridine-3-carbonitrile Openeye Name: 2-[1-(carbazole-9-carbonyl)propylsulfanyl]-6-isopropyl-pyridine-3-carbonitrile CAS Name: 2-[[1-(9-carbazolyl)-1-oxobutan-2-yl]thio]-6-propan-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-(1-carbazol-9-yl-1-oxobutan-2-yl)sulfanyl-6-propan-2-ylpyridine-3-carbonitrile Traditional Name: 2-[1-(carbazole-9-carbonyl)propylthio]-6-isopropyl-nicotinonitrile Formula: C25H23N3OS MolecularWeight: 413.53462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2C3=CC=CC=C31)SC4=C(C=CC(=N4)C(C)C)C#N

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2C3=CC=CC=C31)SC4=C(C=CC(=N4)C(C)C)C#N

InChI

InChI=1S/C25H23N3OS/c1-4-23(30-24-17(15-26)13-14-20(27-24)16(2)3)25(29)28-21-11-7-5-9-18(21)19-10-6-8-12-22(19)28/h5-14,16,23H,4H2,1-3H3