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

Systemtic Name: 1-phenothiazin-10-yl-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone CAS Name: 1-(10-phenothiazinyl)-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-phenothiazin-10-yl-ethanone Formula: C28H21N5OS2 MolecularWeight: 507.62924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=NC=C6

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=NC=C6

InChI

InChI=1S/C28H21N5OS2/c34-26(33-22-10-4-6-12-24(22)36-25-13-7-5-11-23(25)33)19-35-28-31-30-27(21-14-16-29-17-15-21)32(28)18-20-8-2-1-3-9-20/h1-17H,18-19H2