2-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfonyl]-1-phenyl-ethanone

Systemtic Name: 2-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfonyl]-1-phenyl-ethanone Openeye Name: 2-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methylsulfonyl]-1-phenyl-ethanone CAS Name: 2-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfonyl]-1-phenylethanone IUPAC Name: 2-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfonyl]-1-phenylethanone Traditional Name: 2-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methylsulfonyl]-1-phenyl-ethanone Formula: C11H12N4O3S2 MolecularWeight: 312.36798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CS(=O)(=O)CC2=NNC(=S)N2N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CS(=O)(=O)CC2=NNC(=S)N2N

InChI

InChI=1S/C11H12N4O3S2/c12-15-10(13-14-11(15)19)7-20(17,18)6-9(16)8-4-2-1-3-5-8/h1-5H,6-7,12H2,(H,14,19)