methanesulfonate; 10-propan-2-ylphenothiazine-2-carbonitrile

Systemtic Name: methanesulfonate; 10-propan-2-ylphenothiazine-2-carbonitrile Openeye Name: 10-isopropylphenothiazine-2-carbonitrile; methanesulfonate CAS Name: methanesulfonate; 10-propan-2-yl-2-phenothiazinecarbonitrile IUPAC Name: methanesulfonate; 10-propan-2-ylphenothiazine-2-carbonitrile Traditional Name: 10-isopropylphenothiazine-2-carbonitrile mesylate Formula: C17H17N2O3S2- MolecularWeight: 361.45848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C#N.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C#N.CS(=O)(=O)[O-]

InChI

InChI=1S/C16H14N2S.CH4O3S/c1-11(2)18-13-5-3-4-6-15(13)19-16-8-7-12(10-17)9-14(16)18;1-5(2,3)4/h3-9,11H,1-2H3;1H3,(H,2,3,4)/p-1