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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(3-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(3-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C16H20BrN3S MolecularWeight: 366.3191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN3S/c1-12-4-2-8-19-15(12)16(13-5-6-14(17)21-13)20-10-3-7-18-9-11-20/h2,4-6,8,16,18H,3,7,9-11H2,1H3