1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-pyrrolidinosulfonylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H18N4O3S3 MolecularWeight: 434.55552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H18N4O3S3/c23-15(12-27-18-19-17(20-21-18)16-4-3-11-26-16)13-5-7-14(8-6-13)28(24,25)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2,(H,19,20,21)