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

Systemtic Name: 5-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazole Openeye Name: 5-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazole CAS Name: 5-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazole IUPAC Name: 5-(4-ethylsulfonyl-1,4-diazepan-1-yl)-3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazole Traditional Name: 5-(4-esyl-1,4-diazepan-1-yl)-3-m-anisyl-1,2,4-thiadiazole Formula: C17H24N4O3S2 MolecularWeight: 396.52746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O3S2/c1-3-26(22,23)21-9-5-8-20(10-11-21)17-18-16(19-25-17)13-14-6-4-7-15(12-14)24-2/h4,6-7,12H,3,5,8-11,13H2,1-2H3