1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3-chlorobenzothiophen-2-yl)methyl]-1,4-diazepane CAS Name: 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-chloro-1-benzothiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3-chlorobenzothiophen-2-yl)methyl]-1,4-diazepane Formula: C14H17ClN2S MolecularWeight: 280.81618

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1CNCCN(C1)CC2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C14H17ClN2S/c15-14-11-4-1-2-5-12(11)18-13(14)10-17-8-3-6-16-7-9-17/h1-2,4-5,16H,3,6-10H2