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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-5-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Openeye Name: 3-[(4-chlorophenyl)methyl]-5-[4-(2-naphthylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole CAS Name: 3-[(4-chlorophenyl)methyl]-5-[4-(2-naphthalenylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole IUPAC Name: 3-[(4-chlorophenyl)methyl]-5-(4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Traditional Name: 3-(4-chlorobenzyl)-5-[4-(2-naphthylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole Formula: C24H23ClN4O2S2 MolecularWeight: 499.04802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=NC(=NS4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=NC(=NS4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C24H23ClN4O2S2/c25-21-9-6-18(7-10-21)16-23-26-24(32-27-23)28-12-3-13-29(15-14-28)33(30,31)22-11-8-19-4-1-2-5-20(19)17-22/h1-2,4-11,17H,3,12-16H2