4-[3-[4-butan-2-yl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[4-butan-2-yl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-(5-isobutylsulfanyl-4-sec-butyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine CAS Name: 4-[3-[4-butan-2-yl-5-(2-methylpropylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[4-butan-2-yl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[5-(isobutylthio)-4-sec-butyl-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Formula: C20H30N4O3S2 MolecularWeight: 438.6072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NN=C1SCC(C)C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC(C)N1C(=NN=C1SCC(C)C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H30N4O3S2/c1-5-16(4)24-19(21-22-20(24)28-14-15(2)3)17-7-6-8-18(13-17)29(25,26)23-9-11-27-12-10-23/h6-8,13,15-16H,5,9-12,14H2,1-4H3