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

Systemtic Name: 1-phenothiazin-10-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-phenothiazin-10-yl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(10-phenothiazinyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-phenothiazin-10-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-phenothiazin-10-yl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H15N5OS2 MolecularWeight: 417.5067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NNC(=N4)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NNC(=N4)C5=CC=NC=C5

InChI

InChI=1S/C21H15N5OS2/c27-19(13-28-21-23-20(24-25-21)14-9-11-22-12-10-14)26-15-5-1-3-7-17(15)29-18-8-4-2-6-16(18)26/h1-12H,13H2,(H,23,24,25)