2-hexadecyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylsulfanyl-benzene-1,4-diol

Systemtic Name: 2-hexadecyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylsulfanyl-benzene-1,4-diol Openeye Name: 2-hexadecyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylsulfanyl-benzene-1,4-diol CAS Name: 2-hexadecyl-5-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-3-(phenylthio)benzene-1,4-diol IUPAC Name: 2-hexadecyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-phenylsulfanylbenzene-1,4-diol Traditional Name: 2-cetyl-5-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]-3-(phenylthio)hydroquinone Formula: C31H44N2O2S4 MolecularWeight: 604.95326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=C(C(=C(C=C1O)SC2=NN=C(S2)SC)O)SC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=C(C(=C(C=C1O)SC2=NN=C(S2)SC)O)SC3=CC=CC=C3

InChI

InChI=1S/C31H44N2O2S4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-26(34)23-27(38-31-33-32-30(36-2)39-31)28(35)29(25)37-24-20-17-16-18-21-24/h16-18,20-21,23,34-35H,3-15,19,22H2,1-2H3