(3,5-dimethyl-2-methylsulfanyl-phenyl)-isoquinolin-8-yl-diazene

Systemtic Name: (3,5-dimethyl-2-methylsulfanyl-phenyl)-isoquinolin-8-yl-diazene Openeye Name: (3,5-dimethyl-2-methylsulfanyl-phenyl)-(8-isoquinolyl)diazene CAS Name: [3,5-dimethyl-2-(methylthio)phenyl]-(8-isoquinolinyl)diazene IUPAC Name: (3,5-dimethyl-2-methylsulfanylphenyl)-isoquinolin-8-yldiazene Traditional Name: [3,5-dimethyl-2-(methylthio)phenyl]-(8-isoquinolyl)diazene Formula: C18H17N3S MolecularWeight: 307.41268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N=NC2=CC=CC3=C2C=NC=C3)SC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)N=NC2=CC=CC3=C2C=NC=C3)SC)C

InChI

InChI=1S/C18H17N3S/c1-12-9-13(2)18(22-3)17(10-12)21-20-16-6-4-5-14-7-8-19-11-15(14)16/h4-11H,1-3H3