benzoic acid; 4-phenyl-1,2,4-triazolidine-3,5-dithione

Systemtic Name: benzoic acid; 4-phenyl-1,2,4-triazolidine-3,5-dithione Openeye Name: benzoic acid; 4-phenyl-1,2,4-triazolidine-3,5-dithione CAS Name: benzoic acid; 4-phenyl-1,2,4-triazolidine-3,5-dithione IUPAC Name: benzoic acid; 4-phenyl-1,2,4-triazolidine-3,5-dithione Traditional Name: benzoic acid; 4-phenyl-1,2,4-triazolidine-3,5-dithione Formula: C15H13N3O2S2 MolecularWeight: 331.41262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)N2C(=S)NNC2=S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)N2C(=S)NNC2=S

InChI

InChI=1S/C8H7N3S2.C7H6O2/c12-7-9-10-8(13)11(7)6-4-2-1-3-5-6;8-7(9)6-4-2-1-3-5-6/h1-5H,(H,9,12)(H,10,13);1-5H,(H,8,9)