6-ethyl-5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 6-ethyl-5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 6-ethyl-5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 6-ethyl-5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 6-ethyl-5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 6-ethyl-5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)methylthio]nicotinonitrile Formula: C18H18N4S MolecularWeight: 322.42732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)SCC2=NC3=C(N2)C=C(C=C3)C)C#N)C

Isomeric SMILES

CCC1=C(C=C(C(=N1)SCC2=NC3=C(N2)C=C(C=C3)C)C#N)C

InChI

InChI=1S/C18H18N4S/c1-4-14-12(3)8-13(9-19)18(22-14)23-10-17-20-15-6-5-11(2)7-16(15)21-17/h5-8H,4,10H2,1-3H3,(H,20,21)