4-[3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]phenyl]sulfonylmorpholine Formula: C17H18N4O3S3 MolecularWeight: 422.54482

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C17H18N4O3S3/c22-27(23,21-6-8-24-9-7-21)14-4-1-3-13(11-14)12-26-17-18-16(19-20-17)15-5-2-10-25-15/h1-5,10-11H,6-9,12H2,(H,18,19,20)