2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-yl-butan-1-one

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-yl-butan-1-one Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-yl-butan-1-one CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(10-phenothiazinyl)-1-butanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenothiazin-10-ylbutan-1-one Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-phenothiazin-10-yl-butan-1-one Formula: C22H21N3OS2 MolecularWeight: 407.55164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC(=CC(=N4)C)C

Isomeric SMILES

CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC(=CC(=N4)C)C

InChI

InChI=1S/C22H21N3OS2/c1-4-18(28-22-23-14(2)13-15(3)24-22)21(26)25-16-9-5-7-11-19(16)27-20-12-8-6-10-17(20)25/h5-13,18H,4H2,1-3H3