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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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