2-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl-(isocyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propyl-(isocyanomethyl)amino]ethanenitrile Openeye Name: 2-[3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propyl-(isocyanomethyl)amino]acetonitrile CAS Name: 2-[3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)propyl-(isocyanomethyl)amino]acetonitrile IUPAC Name: 2-[3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propyl-(isocyanomethyl)amino]acetonitrile Traditional Name: 2-[isocyanomethyl-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl]amino]acetonitrile Formula: C21H22N4OS MolecularWeight: 378.49058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN(CC#N)C[N+]#[C-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCN(CC#N)C[N+]#[C-])C

InChI

InChI=1S/C21H22N4OS/c1-16-9-10-20-21(17(16)2)25(13-6-12-24(14-11-22)15-23-3)18-7-4-5-8-19(18)27(20)26/h4-5,7-10H,6,12-15H2,1-2H3