1-[[2,4-bis(fluoranyl)phenyl]-(3-methylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[[2,4-bis(fluoranyl)phenyl]-(3-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2,4-difluorophenyl)-(3-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(2,4-difluorophenyl)-(3-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,4-difluorophenyl)-(3-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2,4-difluorophenyl)-(3-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C17H20F2N2S MolecularWeight: 322.415906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=C(C=C(C=C2)F)F)N3CCCNCC3

Isomeric SMILES

CC1=C(SC=C1)C(C2=C(C=C(C=C2)F)F)N3CCCNCC3

InChI

InChI=1S/C17H20F2N2S/c1-12-5-10-22-17(12)16(21-8-2-6-20-7-9-21)14-4-3-13(18)11-15(14)19/h3-5,10-11,16,20H,2,6-9H2,1H3