1,4-dibutoxy-2-(3-diazo-6-methyl-cyclohexa-1,5-dien-1-yl)sulfanyl-benzene

Systemtic Name: 1,4-dibutoxy-2-(3-diazo-6-methyl-cyclohexa-1,5-dien-1-yl)sulfanyl-benzene Openeye Name: 1,4-dibutoxy-2-(3-diazo-6-methyl-cyclohexa-1,5-dien-1-yl)sulfanyl-benzene CAS Name: 1,4-dibutoxy-2-[(3-diazo-6-methyl-1-cyclohexa-1,5-dienyl)thio]benzene IUPAC Name: 1,4-dibutoxy-2-(3-diazo-6-methylcyclohexa-1,5-dien-1-yl)sulfanylbenzene Traditional Name: 1,4-dibutoxy-2-[(3-diazo-6-methyl-cyclohexa-1,5-dien-1-yl)thio]benzene Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)OCCCC)SC2=CC(=[N+]=[N-])CC=C2C

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)OCCCC)SC2=CC(=[N+]=[N-])CC=C2C

InChI

InChI=1S/C21H28N2O2S/c1-4-6-12-24-18-10-11-19(25-13-7-5-2)21(15-18)26-20-14-17(23-22)9-8-16(20)3/h8,10-11,14-15H,4-7,9,12-13H2,1-3H3