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

Systemtic Name: 5-(4-butylsulfonyl-1,4-diazepan-1-yl)-3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazole Openeye Name: 5-(4-butylsulfonyl-1,4-diazepan-1-yl)-3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazole CAS Name: 5-(4-butylsulfonyl-1,4-diazepan-1-yl)-3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazole IUPAC Name: 5-(4-butylsulfonyl-1,4-diazepan-1-yl)-3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazole Traditional Name: 5-(4-butylsulfonyl-1,4-diazepan-1-yl)-3-(4-chlorobenzyl)-1,2,4-thiadiazole Formula: C18H25ClN4O2S2 MolecularWeight: 428.9997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O2S2/c1-2-3-13-27(24,25)23-10-4-9-22(11-12-23)18-20-17(21-26-18)14-15-5-7-16(19)8-6-15/h5-8H,2-4,9-14H2,1H3