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

Systemtic Name: N-[[4-ethyl-5-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[4-ethyl-5-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-[[4-ethyl-5-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[4-ethyl-5-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-ethyl-5-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C28H27N5O4S2 MolecularWeight: 561.67508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)CNC(=O)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)CNC(=O)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C28H27N5O4S2/c1-4-32-25(16-29-27(35)18-13-14-21(36-2)22(15-18)37-3)30-31-28(32)38-17-26(34)33-19-9-5-7-11-23(19)39-24-12-8-6-10-20(24)33/h5-15H,4,16-17H2,1-3H3,(H,29,35)