1-[(5-bromanylthiophen-2-yl)-(3-methylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(m-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(m-tolyl)methyl]-1,4-diazepane Formula: C17H21BrN2S MolecularWeight: 365.33104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=C(S2)Br)N3CCCNCC3

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=C(S2)Br)N3CCCNCC3

InChI

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