7-ethyl-1,4-dimethyl-3-(4-methylphenyl)sulfanyl-azulene

Systemtic Name: 7-ethyl-1,4-dimethyl-3-(4-methylphenyl)sulfanyl-azulene Openeye Name: 7-ethyl-1,4-dimethyl-3-(p-tolylsulfanyl)azulene CAS Name: 7-ethyl-1,4-dimethyl-3-[(4-methylphenyl)thio]azulene IUPAC Name: 7-ethyl-1,4-dimethyl-3-(4-methylphenyl)sulfanylazulene Traditional Name: 7-ethyl-1,4-dimethyl-3-(p-tolylthio)azulene Formula: C21H22S MolecularWeight: 306.46438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C(C2=C(C=C1)C)SC3=CC=C(C=C3)C)C

Isomeric SMILES

CCC1=CC2=C(C=C(C2=C(C=C1)C)SC3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H22S/c1-5-17-9-8-15(3)21-19(13-17)16(4)12-20(21)22-18-10-6-14(2)7-11-18/h6-13H,5H2,1-4H3