6-tert-butyl-1-phenylsulfanyl-azulene

Systemtic Name: 6-tert-butyl-1-phenylsulfanyl-azulene Openeye Name: 6-tert-butyl-1-phenylsulfanyl-azulene CAS Name: 6-tert-butyl-1-(phenylthio)azulene IUPAC Name: 6-tert-butyl-1-phenylsulfanylazulene Traditional Name: 6-tert-butyl-1-(phenylthio)azulene Formula: C20H20S MolecularWeight: 292.4378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=CC=C2SC3=CC=CC=C3)C=C1

Isomeric SMILES

CC(C)(C)C1=CC=C2C(=CC=C2SC3=CC=CC=C3)C=C1

InChI

InChI=1S/C20H20S/c1-20(2,3)16-11-9-15-10-14-19(18(15)13-12-16)21-17-7-5-4-6-8-17/h4-14H,1-3H3