1-carbazol-9-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-butan-1-one

Systemtic Name: 1-carbazol-9-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-butan-1-one Openeye Name: 1-carbazol-9-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-butan-1-one CAS Name: 1-(9-carbazolyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-butanone IUPAC Name: 1-carbazol-9-yl-2-(4,6-dimethylpyrimidin-2-yl)sulfanylbutan-1-one Traditional Name: 1-carbazol-9-yl-2-[(4,6-dimethylpyrimidin-2-yl)thio]butan-1-one Formula: C22H21N3OS MolecularWeight: 375.48664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3OS/c1-4-20(27-22-23-14(2)13-15(3)24-22)21(26)25-18-11-7-5-9-16(18)17-10-6-8-12-19(17)25/h5-13,20H,4H2,1-3H3