4-butyl-3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-1H-1,2,4-triazol-5-one Formula: C20H20N4O2S2 MolecularWeight: 412.5284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C20H20N4O2S2/c1-2-3-12-23-19(26)21-22-20(23)27-13-18(25)24-14-8-4-6-10-16(14)28-17-11-7-5-9-15(17)24/h4-11H,2-3,12-13H2,1H3,(H,21,26)