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

Systemtic Name: 2-[[4-azanyl-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]thio]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]thio]-1-phenothiazin-10-yl-ethanone Formula: C26H21N7O2S2 MolecularWeight: 527.62064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C26H21N7O2S2/c1-35-17-12-10-16(11-13-17)18-14-19(29-28-18)25-30-31-26(33(25)27)36-15-24(34)32-20-6-2-4-8-22(20)37-23-9-5-3-7-21(23)32/h2-14H,15,27H2,1H3,(H,28,29)