2,7,7-trimethyl-1-(4-methylphenyl)-6,8-dihydro-5H-pyrrolo[3,2-c]azepine-4-thione

Systemtic Name: 2,7,7-trimethyl-1-(4-methylphenyl)-6,8-dihydro-5H-pyrrolo[3,2-c]azepine-4-thione Openeye Name: 2,7,7-trimethyl-1-(p-tolyl)-6,8-dihydro-5H-pyrrolo[3,2-c]azepine-4-thione CAS Name: 2,7,7-trimethyl-1-(4-methylphenyl)-6,8-dihydro-5H-pyrrolo[3,2-c]azepine-4-thione IUPAC Name: 2,7,7-trimethyl-1-(4-methylphenyl)-6,8-dihydro-5H-pyrrolo[3,2-c]azepine-4-thione Traditional Name: 2,7,7-trimethyl-1-(p-tolyl)-6,8-dihydro-5H-pyrrol[3,2-c]azepine-4-thione Formula: C18H22N2S MolecularWeight: 298.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC3=C2CC(CNC3=S)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC3=C2CC(CNC3=S)(C)C)C

InChI

InChI=1S/C18H22N2S/c1-12-5-7-14(8-6-12)20-13(2)9-15-16(20)10-18(3,4)11-19-17(15)21/h5-9H,10-11H2,1-4H3,(H,19,21)