[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone

Systemtic Name: [4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone Openeye Name: [4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone CAS Name: [4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone IUPAC Name: [4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone Traditional Name: [4-[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone Formula: C21H20ClFN4OS MolecularWeight: 430.926103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2F)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2F)C3=NC(=NS3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClFN4OS/c22-16-8-6-15(7-9-16)14-19-24-21(29-25-19)27-11-3-10-26(12-13-27)20(28)17-4-1-2-5-18(17)23/h1-2,4-9H,3,10-14H2