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

Systemtic Name: 4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-propyl-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-propylbenzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine Formula: C23H26N6O3S2 MolecularWeight: 498.62094

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NN=CN4C5=CC=CC=C5

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NN=CN4C5=CC=CC=C5

InChI

InChI=1S/C23H26N6O3S2/c1-2-10-28-21-9-8-19(34(30,31)27-11-13-32-14-12-27)15-20(21)25-22(28)16-33-23-26-24-17-29(23)18-6-4-3-5-7-18/h3-9,15,17H,2,10-14,16H2,1H3