1-(2-chloranylphenothiazin-10-yl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(2-chloranylphenothiazin-10-yl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(2-chlorophenothiazin-10-yl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(2-chloro-10-phenothiazinyl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(2-chlorophenothiazin-10-yl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(2-chlorophenothiazin-10-yl)-2-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C21H19ClN4OS2 MolecularWeight: 442.98476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SCC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

InChI

InChI=1S/C21H19ClN4OS2/c22-14-9-10-18-16(11-14)26(15-7-3-4-8-17(15)29-18)19(27)12-28-21-23-20(24-25-21)13-5-1-2-6-13/h3-4,7-11,13H,1-2,5-6,12H2,(H,23,24,25)