2-(imidazo[1,2-a]pyridin-8-ylmethylsulfinyl)-5,6-dimethyl-1H-benzimidazole hydrate

Systemtic Name: 2-(imidazo[1,2-a]pyridin-8-ylmethylsulfinyl)-5,6-dimethyl-1H-benzimidazole hydrate Openeye Name: 2-(imidazo[1,2-a]pyridin-8-ylmethylsulfinyl)-5,6-dimethyl-1H-benzimidazole hydrate CAS Name: 2-(8-imidazo[1,2-a]pyridinylmethylsulfinyl)-5,6-dimethyl-1H-benzimidazole hydrate IUPAC Name: 2-(imidazo[1,2-a]pyridin-8-ylmethylsulfinyl)-5,6-dimethyl-1H-benzimidazole hydrate Traditional Name: 2-(imidazo[1,2-a]pyridin-8-ylmethylsulfinyl)-5,6-dimethyl-1H-benzimidazole hydrate Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)S(=O)CC3=CC=CN4C3=NC=C4.O

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)S(=O)CC3=CC=CN4C3=NC=C4.O

InChI

InChI=1S/C17H16N4OS.H2O/c1-11-8-14-15(9-12(11)2)20-17(19-14)23(22)10-13-4-3-6-21-7-5-18-16(13)21;/h3-9H,10H2,1-2H3,(H,19,20);1H2