5-azanyl-3-(4-cyanophenyl)-N-methyl-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-3-(4-cyanophenyl)-N-methyl-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-3-(4-cyanophenyl)-N-methyl-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-3-(4-cyanophenyl)-N-methyl-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-3-(4-cyanophenyl)-N-methyl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-3-(4-cyanophenyl)-N-methyl-1,2,4-triazole-1-carbothioamide Formula: C11H10N6S MolecularWeight: 258.3023

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C(=NC(=N1)C2=CC=C(C=C2)C#N)N

Isomeric SMILES

CNC(=S)N1C(=NC(=N1)C2=CC=C(C=C2)C#N)N

InChI

InChI=1S/C11H10N6S/c1-14-11(18)17-10(13)15-9(16-17)8-4-2-7(6-12)3-5-8/h2-5H,1H3,(H,14,18)(H2,13,15,16)