9-methyl-N-(3-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

Systemtic Name: 9-methyl-N-(3-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Openeye Name: 9-methyl-N-(3-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine CAS Name: 9-methyl-N-[3-(methylthio)phenyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine IUPAC Name: 9-methyl-N-(3-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine Traditional Name: (9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-[3-(methylthio)phenyl]amine Formula: C18H21NOS MolecularWeight: 299.43044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OCCCC2NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC=CC2=C1OCCCC2NC3=CC(=CC=C3)SC

InChI

InChI=1S/C18H21NOS/c1-13-6-3-9-16-17(10-5-11-20-18(13)16)19-14-7-4-8-15(12-14)21-2/h3-4,6-9,12,17,19H,5,10-11H2,1-2H3