1-[2-[[4-(cyclopropylmethoxy)-3-methoxy-pyridin-2-yl]methylsulfanyl]-6-methyl-1H-benzimidazol-5-yl]ethanone

Systemtic Name: 1-[2-[[4-(cyclopropylmethoxy)-3-methoxy-pyridin-2-yl]methylsulfanyl]-6-methyl-1H-benzimidazol-5-yl]ethanone Openeye Name: 1-[2-[[4-(cyclopropylmethoxy)-3-methoxy-2-pyridyl]methylsulfanyl]-6-methyl-1H-benzimidazol-5-yl]ethanone CAS Name: 1-[2-[[4-(cyclopropylmethoxy)-3-methoxy-2-pyridinyl]methylthio]-6-methyl-1H-benzimidazol-5-yl]ethanone IUPAC Name: 1-[2-[[4-(cyclopropylmethoxy)-3-methoxypyridin-2-yl]methylsulfanyl]-6-methyl-1H-benzimidazol-5-yl]ethanone Traditional Name: 1-[2-[[4-(cyclopropylmethoxy)-3-methoxy-2-pyridyl]methylthio]-6-methyl-1H-benzimidazol-5-yl]ethanone Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C(=O)C)N=C(N2)SCC3=NC=CC(=C3OC)OCC4CC4

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)C)N=C(N2)SCC3=NC=CC(=C3OC)OCC4CC4

InChI

InChI=1S/C21H23N3O3S/c1-12-8-16-17(9-15(12)13(2)25)24-21(23-16)28-11-18-20(26-3)19(6-7-22-18)27-10-14-4-5-14/h6-9,14H,4-5,10-11H2,1-3H3,(H,23,24)