9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-5,6,7,8,9,9a-hexahydro-1H-cyclohepta[b]pyridine

Systemtic Name: 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-5,6,7,8,9,9a-hexahydro-1H-cyclohepta[b]pyridine Openeye Name: 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-5,6,7,8,9,9a-hexahydro-1H-cyclohepta[b]pyridine CAS Name: 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-5,6,7,8,9,9a-hexahydro-1H-cyclohepta[b]pyridine IUPAC Name: 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-5,6,7,8,9,9a-hexahydro-1H-cyclohepta[b]pyridine Traditional Name: 9-(1H-benzimidazol-2-ylsulfinyl)-4-methoxy-5,6,7,8,9,9a-hexahydro-1H-cyclohepta[b]pyridine Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CCCCC(C2NC=C1)S(=O)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=C2CCCCC(C2NC=C1)S(=O)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H21N3O2S/c1-23-15-10-11-19-17-12(15)6-2-5-9-16(17)24(22)18-20-13-7-3-4-8-14(13)21-18/h3-4,7-8,10-11,16-17,19H,2,5-6,9H2,1H3,(H,20,21)