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

Systemtic Name: 4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[2-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-propyl-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-propylbenzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[2-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-propyl-benzimidazol-5-yl]sulfonylmorpholine Formula: C21H28N6O3S2 MolecularWeight: 476.61542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NN=C(N4C5CC5)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NN=C(N4C5CC5)C

InChI

InChI=1S/C21H28N6O3S2/c1-3-8-26-19-7-6-17(32(28,29)25-9-11-30-12-10-25)13-18(19)22-20(26)14-31-21-24-23-15(2)27(21)16-4-5-16/h6-7,13,16H,3-5,8-12,14H2,1-2H3