7-ethyl-1,4-dimethyl-3-(phenylmethylsulfanyl)azulene

Systemtic Name: 7-ethyl-1,4-dimethyl-3-(phenylmethylsulfanyl)azulene Openeye Name: 3-benzylsulfanyl-7-ethyl-1,4-dimethyl-azulene CAS Name: 7-ethyl-1,4-dimethyl-3-(phenylmethylthio)azulene IUPAC Name: 3-benzylsulfanyl-7-ethyl-1,4-dimethylazulene Traditional Name: 3-(benzylthio)-7-ethyl-1,4-dimethyl-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)SCC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC2=C(C=C(C2=C(C=C1)C)SCC3=CC=CC=C3)C

InChI

InChI=1S/C21H22S/c1-4-17-11-10-15(2)21-19(13-17)16(3)12-20(21)22-14-18-8-6-5-7-9-18/h5-13H,4,14H2,1-3H3