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

Systemtic Name: 4-[1-ethyl-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[2-[[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Formula: C20H26N6O3S2 MolecularWeight: 462.58884

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O3S2/c1-4-8-26-15(3)22-23-20(26)30-14-19-21-17-13-16(6-7-18(17)25(19)5-2)31(27,28)24-9-11-29-12-10-24/h4,6-7,13H,1,5,8-12,14H2,2-3H3