6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]-1H-benzimidazole hydrate

Systemtic Name: 6-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]-1H-benzimidazole hydrate Openeye Name: 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfanyl]-1H-benzimidazole hydrate CAS Name: 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylthio]-1H-benzimidazole hydrate IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]-1H-benzimidazole hydrate Traditional Name: 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylthio]-1H-benzimidazole hydrate Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OC.O

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2)C=C(C=C3)OC.O

InChI

InChI=1S/C17H19N3O2S.H2O/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17;/h5-8H,9H2,1-4H3,(H,19,20);1H2