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

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(2-methylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(5-chloro-2-thienyl)-(o-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(5-chloro-2-thiophenyl)-(2-methylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(2-methylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-chloro-2-thienyl)-(o-tolyl)methyl]-1,4-diazepane Formula: C17H21ClN2S MolecularWeight: 320.88004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=C(S2)Cl)N3CCCNCC3

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=C(S2)Cl)N3CCCNCC3

InChI

InChI=1S/C17H21ClN2S/c1-13-5-2-3-6-14(13)17(15-7-8-16(18)21-15)20-11-4-9-19-10-12-20/h2-3,5-8,17,19H,4,9-12H2,1H3