4-[4-methyl-3-[4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-methyl-3-[4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4-methyl-phenyl]sulfonylmorpholine CAS Name: 4-[4-methyl-3-[4-phenyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)-4-methylphenyl]sulfonylmorpholine Traditional Name: 4-[3-[5-(benzylthio)-4-phenyl-1,2,4-triazol-3-yl]-4-methyl-phenyl]sulfonylmorpholine Formula: C26H26N4O3S2 MolecularWeight: 506.63964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O3S2/c1-20-12-13-23(35(31,32)29-14-16-33-17-15-29)18-24(20)25-27-28-26(30(25)22-10-6-3-7-11-22)34-19-21-8-4-2-5-9-21/h2-13,18H,14-17,19H2,1H3