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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OCCCC2NC3=CC=CC=C3SC

Isomeric SMILES

CC1=CC=CC2=C1OCCCC2NC3=CC=CC=C3SC

InChI

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