3-[(4-chlorophenyl)methyl]-5-(4-ethylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole

Systemtic Name: 3-[(4-chlorophenyl)methyl]-5-(4-ethylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Openeye Name: 3-[(4-chlorophenyl)methyl]-5-(4-ethylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole CAS Name: 3-[(4-chlorophenyl)methyl]-5-(4-ethylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole IUPAC Name: 3-[(4-chlorophenyl)methyl]-5-(4-ethylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Traditional Name: 3-(4-chlorobenzyl)-5-(4-esyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Formula: C16H21ClN4O2S2 MolecularWeight: 400.94654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCS(=O)(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H21ClN4O2S2/c1-2-25(22,23)21-9-3-8-20(10-11-21)16-18-15(19-24-16)12-13-4-6-14(17)7-5-13/h4-7H,2-3,8-12H2,1H3