2-[(S)-1H-benzimidazol-2-ylmethylsulfinyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Systemtic Name: 2-[(S)-1H-benzimidazol-2-ylmethylsulfinyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Openeye Name: 2-[(S)-1H-benzimidazol-2-ylmethylsulfinyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile CAS Name: 2-[(S)-1H-benzimidazol-2-ylmethylsulfinyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile IUPAC Name: 2-[(S)-1H-benzimidazol-2-ylmethylsulfinyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Traditional Name: 2-[(S)-1H-benzimidazol-2-ylmethylsulfinyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile Formula: C19H18N4OS MolecularWeight: 350.43742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N=C(C(=C2)C#N)S(=O)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCC2=C(CC1)N=C(C(=C2)C#N)[S@@](=O)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H18N4OS/c20-11-14-10-13-6-2-1-3-7-15(13)23-19(14)25(24)12-18-21-16-8-4-5-9-17(16)22-18/h4-5,8-10H,1-3,6-7,12H2,(H,21,22)/t25-/m0/s1