2-[[1-(4-hydroxyphenyl)-2,3-dihydro-1,2,3,4-tetrazol-5-yl]sulfanyl]-5-methyl-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[[1-(4-hydroxyphenyl)-2,3-dihydro-1,2,3,4-tetrazol-5-yl]sulfanyl]-5-methyl-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[[1-(4-hydroxyphenyl)-2,3-dihydrotetrazol-5-yl]sulfanyl]-5-methyl-1,4-benzoquinone CAS Name: 2-[[1-(4-hydroxyphenyl)-2,3-dihydrotetrazol-5-yl]thio]-5-methylcyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[[1-(4-hydroxyphenyl)-2,3-dihydrotetrazol-5-yl]sulfanyl]-5-methylcyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[[1-(4-hydroxyphenyl)-2,3-dihydrotetrazol-5-yl]thio]-5-methyl-p-benzoquinone Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=CC1=O)SC2=NNNN2C3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC(=O)C(=CC1=O)SC2=NNNN2C3=CC=C(C=C3)O

InChI

InChI=1S/C14H12N4O3S/c1-8-6-12(21)13(7-11(8)20)22-14-15-16-17-18(14)9-2-4-10(19)5-3-9/h2-7,16-17,19H,1H3