1-[(2-bromophenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-bromophenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2-bromophenyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromophenyl)-(5-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromophenyl)-(5-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2-bromophenyl)-(5-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C17H21BrN2S MolecularWeight: 365.33104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(C2=CC=CC=C2Br)N3CCCNCC3

Isomeric SMILES

CC1=CC=C(S1)C(C2=CC=CC=C2Br)N3CCCNCC3

InChI

InChI=1S/C17H21BrN2S/c1-13-7-8-16(21-13)17(14-5-2-3-6-15(14)18)20-11-4-9-19-10-12-20/h2-3,5-8,17,19H,4,9-12H2,1H3