4-[3-[4-(phenylmethyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[4-(phenylmethyl)-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-(4-benzyl-5-isopropylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine CAS Name: 4-[3-[4-(phenylmethyl)-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-(4-benzyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine Traditional Name: 4-[3-[4-benzyl-5-(isopropylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(C)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H26N4O3S2/c1-17(2)30-22-24-23-21(26(22)16-18-7-4-3-5-8-18)19-9-6-10-20(15-19)31(27,28)25-11-13-29-14-12-25/h3-10,15,17H,11-14,16H2,1-2H3