2-(isoquinolin-1-ylmethylsulfanyl)-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-(isoquinolin-1-ylmethylsulfanyl)-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-(1-isoquinolylmethylsulfanyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 2-(1-isoquinolinylmethylthio)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-(isoquinolin-1-ylmethylsulfanyl)-6-methylpyridine-3-carbonitrile Traditional Name: 2-(1-isoquinolylmethylthio)-6-methyl-nicotinonitrile Formula: C17H13N3S MolecularWeight: 291.37022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C17H13N3S/c1-12-6-7-14(10-18)17(20-12)21-11-16-15-5-3-2-4-13(15)8-9-19-16/h2-9H,11H2,1H3