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

Systemtic Name: 4-(3-methoxypropyl)-3-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-(3-methoxypropyl)-3-(2-oxo-2-phenothiazin-10-yl-ethyl)sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-(3-methoxypropyl)-3-[[2-oxo-2-(10-phenothiazinyl)ethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(3-methoxypropyl)-3-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-keto-2-phenothiazin-10-yl-ethyl)thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C20H20N4O3S2/c1-27-12-6-11-23-19(26)21-22-20(23)28-13-18(25)24-14-7-2-4-9-16(14)29-17-10-5-3-8-15(17)24/h2-5,7-10H,6,11-13H2,1H3,(H,21,26)