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

Systemtic Name: 5-azanyl-N-methyl-3-[4-(methylcarbamothioylamino)phenyl]-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-methyl-3-[4-(methylcarbamothioylamino)phenyl]-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-methyl-3-[4-[[methylamino(sulfanylidene)methyl]amino]phenyl]-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-methyl-3-[4-(methylcarbamothioylamino)phenyl]-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-methyl-3-[4-(methylthiocarbamoylamino)phenyl]-1,2,4-triazole-1-carbothioamide Formula: C12H15N7S2 MolecularWeight: 321.4244

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CC=C(C=C1)C2=NN(C(=N2)N)C(=S)NC

Isomeric SMILES

CNC(=S)NC1=CC=C(C=C1)C2=NN(C(=N2)N)C(=S)NC

InChI

InChI=1S/C12H15N7S2/c1-14-11(20)16-8-5-3-7(4-6-8)9-17-10(13)19(18-9)12(21)15-2/h3-6H,1-2H3,(H,15,21)(H2,13,17,18)(H2,14,16,20)