5-(cyanomethyl)-4-(3-methylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(cyanomethyl)-4-(3-methylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(cyanomethyl)-4-(m-tolyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(cyanomethyl)-4-(3-methylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(cyanomethyl)-4-(3-methylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(cyanomethyl)-4-(m-tolyl)-1,2,4-triazole-3-thiolate Formula: C11H9N4S- MolecularWeight: 229.28096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2[S-])CC#N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2[S-])CC#N

InChI

InChI=1S/C11H10N4S/c1-8-3-2-4-9(7-8)15-10(5-6-12)13-14-11(15)16/h2-4,7H,5H2,1H3,(H,14,16)/p-1