2-[2-[(4aR,10aS)-4a,10a-dihydrophenothiazin-10-yl]-2-oxidanylidene-ethyl]sulfanyl-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-[(4aR,10aS)-4a,10a-dihydrophenothiazin-10-yl]-2-oxidanylidene-ethyl]sulfanyl-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[2-[(4aR,10aS)-4a,10a-dihydrophenothiazin-10-yl]-2-oxo-ethyl]sulfanyl-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[[2-[(4aR,10aS)-4a,10a-dihydrophenothiazin-10-yl]-2-oxoethyl]thio]-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-[(4aR,10aS)-4a,10a-dihydrophenothiazin-10-yl]-2-oxoethyl]sulfanyl-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile Traditional Name: 2-[[2-[(4aR,10aS)-4a,10a-dihydrophenothiazin-10-yl]-2-keto-ethyl]thio]-4-(methoxymethyl)-6-methyl-nicotinonitrile Formula: C23H21N3O2S2 MolecularWeight: 435.56174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)N2C3C=CC=CC3SC4=CC=CC=C42

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SCC(=O)N2[C@H]3C=CC=C[C@H]3SC4=CC=CC=C42

InChI

InChI=1S/C23H21N3O2S2/c1-15-11-16(13-28-2)17(12-24)23(25-15)29-14-22(27)26-18-7-3-5-9-20(18)30-21-10-6-4-8-19(21)26/h3-11,18,20H,13-14H2,1-2H3/t18-,20+/m0/s1