4-bromanyl-6-[4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-bromanyl-6-[4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-(4-benzyl-5-thioxo-1,2,4-triazolidin-3-ylidene)-4-bromo-cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-6-[4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-(4-benzyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene)-4-bromocyclohexa-2,4-dien-1-one Traditional Name: 6-(4-benzyl-5-thioxo-1,2,4-triazolidin-3-ylidene)-4-bromo-cyclohexa-2,4-dien-1-one Formula: C15H12BrN3OS MolecularWeight: 362.24428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=C3C=C(C=CC3=O)Br)NNC2=S

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=C3C=C(C=CC3=O)Br)NNC2=S

InChI

InChI=1S/C15H12BrN3OS/c16-11-6-7-13(20)12(8-11)14-17-18-15(21)19(14)9-10-4-2-1-3-5-10/h1-8,17H,9H2,(H,18,21)