3-(phenylmethyl)-5-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole

Systemtic Name: 3-(phenylmethyl)-5-[4-(phenylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole Openeye Name: 5-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-benzyl-1,2,4-thiadiazole CAS Name: 5-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-(phenylmethyl)-1,2,4-thiadiazole IUPAC Name: 5-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-3-benzyl-1,2,4-thiadiazole Traditional Name: 3-benzyl-5-(4-besyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2S2/c25-28(26,18-10-5-2-6-11-18)24-13-7-12-23(14-15-24)20-21-19(22-27-20)16-17-8-3-1-4-9-17/h1-6,8-11H,7,12-16H2