2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[[4-methyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[4-methyl-5-(6-quinolinyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[(4-methyl-5-quinolin-6-yl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[[4-methyl-5-(6-quinolyl)-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C14H11N5S MolecularWeight: 281.33564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC#N)C2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC#N)C2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C14H11N5S/c1-19-13(17-18-14(19)20-8-6-15)11-4-5-12-10(9-11)3-2-7-16-12/h2-5,7,9H,8H2,1H3