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

Systemtic Name: 5-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole Openeye Name: 5-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(p-tolylmethyl)-1,2,4-thiadiazole CAS Name: 5-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole IUPAC Name: 5-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole Traditional Name: 5-[4-(4-tert-butylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(4-methylbenzyl)-1,2,4-thiadiazole Formula: C25H32N4O2S2 MolecularWeight: 484.67718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C25H32N4O2S2/c1-19-6-8-20(9-7-19)18-23-26-24(32-27-23)28-14-5-15-29(17-16-28)33(30,31)22-12-10-21(11-13-22)25(2,3)4/h6-13H,5,14-18H2,1-4H3