10-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]phenothiazine

Systemtic Name: 10-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]phenothiazine Openeye Name: 10-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]phenothiazine CAS Name: 10-[[4-ethyl-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]methyl]phenothiazine IUPAC Name: 10-[[4-ethyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]phenothiazine Traditional Name: 10-[[4-ethyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methyl]phenothiazine Formula: C24H21N5O2S2 MolecularWeight: 475.58584

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])CN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C24H21N5O2S2/c1-2-27-23(25-26-24(27)32-16-17-11-13-18(14-12-17)29(30)31)15-28-19-7-3-5-9-21(19)33-22-10-6-4-8-20(22)28/h3-14H,2,15-16H2,1H3