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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=NN=C(N32)SCC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=NN=C(N32)SCC4=CC=CC=C4C#N

InChI

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