3-([1,2,4]triazolo[3,4-a]isoquinolin-3-ylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 3-([1,2,4]triazolo[3,4-a]isoquinolin-3-ylsulfanylmethyl)benzenecarbonitrile Openeye Name: 3-([1,2,4]triazolo[3,4-a]isoquinolin-3-ylsulfanylmethyl)benzonitrile CAS Name: 3-[([1,2,4]triazolo[3,4-a]isoquinolin-3-ylthio)methyl]benzonitrile IUPAC Name: 3-([1,2,4]triazolo[3,4-a]isoquinolin-3-ylsulfanylmethyl)benzonitrile Traditional Name: 3-[([1,2,4]triazol[3,4-a]isoquinolin-3-ylthio)methyl]benzonitrile Formula: C18H12N4S MolecularWeight: 316.37968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN3C2=NN=C3SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN3C2=NN=C3SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C18H12N4S/c19-11-13-4-3-5-14(10-13)12-23-18-21-20-17-16-7-2-1-6-15(16)8-9-22(17)18/h1-10H,12H2