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

Systemtic Name: 5-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(phenylmethyl)-1,2,4-thiadiazole Openeye Name: 3-benzyl-5-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole CAS Name: 5-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(phenylmethyl)-1,2,4-thiadiazole IUPAC Name: 3-benzyl-5-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole Traditional Name: 3-benzyl-5-(4-tosyl-1,4-diazepan-1-yl)-1,2,4-thiadiazole Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S2/c1-17-8-10-19(11-9-17)29(26,27)25-13-5-12-24(14-15-25)21-22-20(23-28-21)16-18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3