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

Systemtic Name: 5-(4-butylsulfonyl-1,4-diazepan-1-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazole Openeye Name: 5-(4-butylsulfonyl-1,4-diazepan-1-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazole CAS Name: 5-(4-butylsulfonyl-1,4-diazepan-1-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazole IUPAC Name: 5-(4-butylsulfonyl-1,4-diazepan-1-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazole Traditional Name: 5-(4-butylsulfonyl-1,4-diazepan-1-yl)-3-m-anisyl-1,2,4-thiadiazole Formula: C19H28N4O3S2 MolecularWeight: 424.58062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O3S2/c1-3-4-13-28(24,25)23-10-6-9-22(11-12-23)19-20-18(21-27-19)15-16-7-5-8-17(14-16)26-2/h5,7-8,14H,3-4,6,9-13,15H2,1-2H3