4-[3-[5-ethylsulfanyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[5-ethylsulfanyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-(5-ethylsulfanyl-4-isobutyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine CAS Name: 4-[3-[5-(ethylthio)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[5-ethylsulfanyl-4-(2-methylpropyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[5-(ethylthio)-4-isobutyl-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Formula: C18H26N4O3S2 MolecularWeight: 410.55404

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1CC(C)C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCSC1=NN=C(N1CC(C)C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H26N4O3S2/c1-4-26-18-20-19-17(22(18)13-14(2)3)15-6-5-7-16(12-15)27(23,24)21-8-10-25-11-9-21/h5-7,12,14H,4,8-11,13H2,1-3H3