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

Systemtic Name: 2-[3-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenothiazin-10-yl-ethanone Openeye Name: 1-phenothiazin-10-yl-2-[4-phenyl-3-(p-tolylsulfanylmethyl)-5-thioxo-1,2,4-triazol-1-yl]ethanone CAS Name: 2-[3-[[(4-methylphenyl)thio]methyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[3-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]-1-phenothiazin-10-ylethanone Traditional Name: 1-phenothiazin-10-yl-2-[4-phenyl-3-[(p-tolylthio)methyl]-5-thioxo-1,2,4-triazol-1-yl]ethanone Formula: C30H24N4OS3 MolecularWeight: 552.73276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H24N4OS3/c1-21-15-17-23(18-16-21)37-20-28-31-32(30(36)33(28)22-9-3-2-4-10-22)19-29(35)34-24-11-5-7-13-26(24)38-27-14-8-6-12-25(27)34/h2-18H,19-20H2,1H3