1-[(3-bromophenyl)-(5-chloranylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-bromophenyl)-(5-chloranylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(5-chloro-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(5-chloro-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-(5-chlorothiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3-bromophenyl)-(5-chloro-2-thienyl)methyl]-1,4-diazepane Formula: C16H18BrClN2S MolecularWeight: 385.74952

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)Br)C3=CC=C(S3)Cl

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)Br)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H18BrClN2S/c17-13-4-1-3-12(11-13)16(14-5-6-15(18)21-14)20-9-2-7-19-8-10-20/h1,3-6,11,16,19H,2,7-10H2