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

Systemtic Name: 1-[(2-methylphenyl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[o-tolyl(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(2-methylphenyl)-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-methylphenyl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[o-tolyl(3-thienyl)methyl]-1,4-diazepane Formula: C17H22N2S MolecularWeight: 286.43498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CSC=C2)N3CCCNCC3

Isomeric SMILES

CC1=CC=CC=C1C(C2=CSC=C2)N3CCCNCC3

InChI

InChI=1S/C17H22N2S/c1-14-5-2-3-6-16(14)17(15-7-12-20-13-15)19-10-4-8-18-9-11-19/h2-3,5-7,12-13,17-18H,4,8-11H2,1H3