2-[4-(3-methylphenyl)-3-[(4-methylphenyl)sulfanylmethyl]-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenothiazin-10-yl-ethanone

Systemtic Name: 2-[4-(3-methylphenyl)-3-[(4-methylphenyl)sulfanylmethyl]-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[4-(m-tolyl)-3-(p-tolylsulfanylmethyl)-5-thioxo-1,2,4-triazol-1-yl]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[4-(3-methylphenyl)-3-[[(4-methylphenyl)thio]methyl]-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[4-(3-methylphenyl)-3-[(4-methylphenyl)sulfanylmethyl]-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenothiazin-10-ylethanone Traditional Name: 2-[4-(m-tolyl)-3-[(p-tolylthio)methyl]-5-thioxo-1,2,4-triazol-1-yl]-1-phenothiazin-10-yl-ethanone Formula: C31H26N4OS3 MolecularWeight: 566.75934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=NN(C(=S)N2C3=CC=CC(=C3)C)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=NN(C(=S)N2C3=CC=CC(=C3)C)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C31H26N4OS3/c1-21-14-16-24(17-15-21)38-20-29-32-33(31(37)34(29)23-9-7-8-22(2)18-23)19-30(36)35-25-10-3-5-12-27(25)39-28-13-6-4-11-26(28)35/h3-18H,19-20H2,1-2H3