3-methyl-N-[2-methyl-1-[4-methyl-5-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide

Systemtic Name: 3-methyl-N-[2-methyl-1-[4-methyl-5-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide Openeye Name: 3-methyl-N-[2-methyl-1-[4-methyl-5-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide CAS Name: 3-methyl-N-[2-methyl-1-[4-methyl-5-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-1,2,4-triazol-3-yl]propyl]benzamide IUPAC Name: 3-methyl-N-[2-methyl-1-[4-methyl-5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,2,4-triazol-3-yl]propyl]benzamide Traditional Name: N-[1-[5-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-2-methyl-propyl]-3-methyl-benzamide Formula: C29H29N5O2S2 MolecularWeight: 543.70286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C2=NN=C(N2C)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C2=NN=C(N2C)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C(C)C

InChI

InChI=1S/C29H29N5O2S2/c1-18(2)26(30-28(36)20-11-9-10-19(3)16-20)27-31-32-29(33(27)4)37-17-25(35)34-21-12-5-7-14-23(21)38-24-15-8-6-13-22(24)34/h5-16,18,26H,17H2,1-4H3,(H,30,36)