N-methyl-1-(phenylmethyl)-5-sulfanylidene-2H-1,2,3-triazole-4-carboxamide

Systemtic Name: N-methyl-1-(phenylmethyl)-5-sulfanylidene-2H-1,2,3-triazole-4-carboxamide Openeye Name: 1-benzyl-N-methyl-5-thioxo-2H-triazole-4-carboxamide CAS Name: N-methyl-1-(phenylmethyl)-5-sulfanylidene-2H-triazole-4-carboxamide IUPAC Name: 1-benzyl-N-methyl-5-sulfanylidene-2H-triazole-4-carboxamide Traditional Name: 1-benzyl-N-methyl-5-thioxo-2H-triazole-4-carboxamide Formula: C11H12N4OS MolecularWeight: 248.30418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NNN(C1=S)CC2=CC=CC=C2

Isomeric SMILES

CNC(=O)C1=NNN(C1=S)CC2=CC=CC=C2

InChI

InChI=1S/C11H12N4OS/c1-12-10(16)9-11(17)15(14-13-9)7-8-5-3-2-4-6-8/h2-6,14H,7H2,1H3,(H,12,16)