1-[(4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane

Systemtic Name: 1-[(4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Openeye Name: 1-[(4-methyl-2-thienyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane CAS Name: 1-[(4-methyl-2-thiophenyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Traditional Name: 1-[(4-methyl-2-thienyl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane Formula: C18H21F3N2S MolecularWeight: 354.43295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCCNCC3

Isomeric SMILES

CC1=CSC(=C1)C(C2=CC=C(C=C2)C(F)(F)F)N3CCCNCC3

InChI

InChI=1S/C18H21F3N2S/c1-13-11-16(24-12-13)17(23-9-2-7-22-8-10-23)14-3-5-15(6-4-14)18(19,20)21/h3-6,11-12,17,22H,2,7-10H2,1H3