5-phenyl-3-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 5-phenyl-3-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 5-phenyl-3-[[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 5-phenyl-3-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole IUPAC Name: 5-phenyl-3-[(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 5-phenyl-3-[[4-(2-thienylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CS2)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H20N4O3S2/c23-27(24,17-8-4-13-26-17)22-10-5-9-21(11-12-22)14-16-19-18(25-20-16)15-6-2-1-3-7-15/h1-4,6-8,13H,5,9-12,14H2