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

Systemtic Name: 4-[3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]phenyl]sulfonylmorpholine Formula: C16H22N4O3S2 MolecularWeight: 382.50088

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H22N4O3S2/c1-2-4-15-17-16(19-18-15)24-12-13-5-3-6-14(11-13)25(21,22)20-7-9-23-10-8-20/h3,5-6,11H,2,4,7-10,12H2,1H3,(H,17,18,19)