5-azanyl-N-methyl-3-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-N-methyl-3-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-methyl-3-[4-(2H-tetrazol-5-yl)phenyl]-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-methyl-3-[4-(2H-tetrazol-5-yl)phenyl]-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-methyl-3-[4-(2H-tetrazol-5-yl)phenyl]-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-methyl-3-[4-(2H-tetrazol-5-yl)phenyl]-1,2,4-triazole-1-carbothioamide Formula: C11H11N9S MolecularWeight: 301.33034

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C(=NC(=N1)C2=CC=C(C=C2)C3=NNN=N3)N

Isomeric SMILES

CNC(=S)N1C(=NC(=N1)C2=CC=C(C=C2)C3=NNN=N3)N

InChI

InChI=1S/C11H11N9S/c1-13-11(21)20-10(12)14-8(17-20)6-2-4-7(5-3-6)9-15-18-19-16-9/h2-5H,1H3,(H,13,21)(H2,12,14,17)(H,15,16,18,19)