4-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[2-[[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[2-[[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Formula: C22H28N6O3S2 MolecularWeight: 488.62612

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NN=C(N4CC=C)C5CC5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NN=C(N4CC=C)C5CC5

InChI

InChI=1S/C22H28N6O3S2/c1-3-9-28-21(16-5-6-16)24-25-22(28)32-15-20-23-18-14-17(7-8-19(18)27(20)4-2)33(29,30)26-10-12-31-13-11-26/h3,7-8,14,16H,1,4-6,9-13,15H2,2H3