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

Systemtic Name: 4-[3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine CAS Name: 4-[3-[[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]methyl]phenyl]sulfonylmorpholine Formula: C24H29N5O3S2 MolecularWeight: 499.64876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)N5CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)N5CCCC5

InChI

InChI=1S/C24H29N5O3S2/c1-19-7-9-21(10-8-19)29-23(27-11-2-3-12-27)25-26-24(29)33-18-20-5-4-6-22(17-20)34(30,31)28-13-15-32-16-14-28/h4-10,17H,2-3,11-16,18H2,1H3