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

Systemtic Name: 5-azanyl-N-methyl-3-(2-phenylethynyl)-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-methyl-3-(2-phenylethynyl)-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-methyl-3-(2-phenylethynyl)-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-methyl-3-(2-phenylethynyl)-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-methyl-3-(2-phenylethynyl)-1,2,4-triazole-1-carbothioamide Formula: C12H11N5S MolecularWeight: 257.31424

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C(=NC(=N1)C#CC2=CC=CC=C2)N

Isomeric SMILES

CNC(=S)N1C(=NC(=N1)C#CC2=CC=CC=C2)N

InChI

InChI=1S/C12H11N5S/c1-14-12(18)17-11(13)15-10(16-17)8-7-9-5-3-2-4-6-9/h2-6H,1H3,(H,14,18)(H2,13,15,16)