5-hexadecylsulfanyl-2-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-phenylsulfanyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 5-hexadecylsulfanyl-2-[(1-phenyl-2,3-dihydro-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-phenylsulfanyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 5-hexadecylsulfanyl-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-3-phenylsulfanyl-1,4-benzoquinone CAS Name: 5-(hexadecylthio)-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-3-(phenylthio)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 5-hexadecylsulfanyl-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)sulfanyl]-3-phenylsulfanylcyclohexa-2,5-diene-1,4-dione Traditional Name: 5-(cetylthio)-2-[(1-phenyl-2,3-dihydrotetrazol-5-yl)thio]-3-(phenylthio)-p-benzoquinone Formula: C35H46N4O2S3 MolecularWeight: 650.96034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=CC(=O)C(=C(C1=O)SC2=CC=CC=C2)SC3=NNNN3C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=CC(=O)C(=C(C1=O)SC2=CC=CC=C2)SC3=NNNN3C4=CC=CC=C4

InChI

InChI=1S/C35H46N4O2S3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-26-42-31-27-30(40)33(34(32(31)41)43-29-24-19-16-20-25-29)44-35-36-37-38-39(35)28-22-17-15-18-23-28/h15-20,22-25,27,37-38H,2-14,21,26H2,1H3