1,4-dimethyl-3-phenylsulfanyl-7-propan-2-yl-azulene

Systemtic Name: 1,4-dimethyl-3-phenylsulfanyl-7-propan-2-yl-azulene Openeye Name: 7-isopropyl-1,4-dimethyl-3-phenylsulfanyl-azulene CAS Name: 1,4-dimethyl-3-(phenylthio)-7-propan-2-ylazulene IUPAC Name: 1,4-dimethyl-3-phenylsulfanyl-7-propan-2-ylazulene Traditional Name: 7-isopropyl-1,4-dimethyl-3-(phenylthio)azulene Formula: C21H22S MolecularWeight: 306.46438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)SC3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)SC3=CC=CC=C3

InChI

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