2-(2-phenyl-5-sulfanylidene-cyclohexa-1,3-dien-1-yl)-1H-1,2,4-triazol-3-one

Systemtic Name: 2-(2-phenyl-5-sulfanylidene-cyclohexa-1,3-dien-1-yl)-1H-1,2,4-triazol-3-one Openeye Name: 2-(2-phenyl-5-thioxo-cyclohexa-1,3-dien-1-yl)-1H-1,2,4-triazol-3-one CAS Name: 2-(2-phenyl-5-sulfanylidene-1-cyclohexa-1,3-dienyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-(2-phenyl-5-sulfanylidenecyclohexa-1,3-dien-1-yl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(2-phenyl-5-thioxo-cyclohexa-1,3-dien-1-yl)-1H-1,2,4-triazol-3-one Formula: C14H11N3OS MolecularWeight: 269.32164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=S)C=CC(=C1N2C(=O)N=CN2)C3=CC=CC=C3

Isomeric SMILES

C1C(=S)C=CC(=C1N2C(=O)N=CN2)C3=CC=CC=C3

InChI

InChI=1S/C14H11N3OS/c18-14-15-9-16-17(14)13-8-11(19)6-7-12(13)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,15,16,18)