1-methyl-6-oxidanyl-3-[1-(5-oxidanylidene-5-phenothiazin-10-yl-pentyl)-1,2,3-triazol-4-yl]-2-phenyl-indole-5-carboxylic acid

Systemtic Name: 1-methyl-6-oxidanyl-3-[1-(5-oxidanylidene-5-phenothiazin-10-yl-pentyl)-1,2,3-triazol-4-yl]-2-phenyl-indole-5-carboxylic acid Openeye Name: 6-hydroxy-1-methyl-3-[1-(5-oxo-5-phenothiazin-10-yl-pentyl)triazol-4-yl]-2-phenyl-indole-5-carboxylic acid CAS Name: 6-hydroxy-1-methyl-3-[1-[5-oxo-5-(10-phenothiazinyl)pentyl]-4-triazolyl]-2-phenyl-5-indolecarboxylic acid IUPAC Name: 6-hydroxy-1-methyl-3-[1-(5-oxo-5-phenothiazin-10-ylpentyl)triazol-4-yl]-2-phenylindole-5-carboxylic acid Traditional Name: 6-hydroxy-3-[1-(5-keto-5-phenothiazin-10-yl-pentyl)triazol-4-yl]-1-methyl-2-phenyl-indole-5-carboxylic acid Formula: C35H29N5O4S MolecularWeight: 615.70086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C(=C1C3=CC=CC=C3)C4=CN(N=N4)CCCCC(=O)N5C6=CC=CC=C6SC7=CC=CC=C75)C(=O)O)O

Isomeric SMILES

CN1C2=CC(=C(C=C2C(=C1C3=CC=CC=C3)C4=CN(N=N4)CCCCC(=O)N5C6=CC=CC=C6SC7=CC=CC=C75)C(=O)O)O

InChI

InChI=1S/C35H29N5O4S/c1-38-28-20-29(41)24(35(43)44)19-23(28)33(34(38)22-11-3-2-4-12-22)25-21-39(37-36-25)18-10-9-17-32(42)40-26-13-5-7-15-30(26)45-31-16-8-6-14-27(31)40/h2-8,11-16,19-21,41H,9-10,17-18H2,1H3,(H,43,44)