(E)-4-phenyl-1-(1H-1,2,4-triazol-5-ylsulfanyl)but-3-en-2-one

Systemtic Name: (E)-4-phenyl-1-(1H-1,2,4-triazol-5-ylsulfanyl)but-3-en-2-one Openeye Name: (E)-4-phenyl-1-(1H-1,2,4-triazol-5-ylsulfanyl)but-3-en-2-one CAS Name: (E)-4-phenyl-1-(1H-1,2,4-triazol-5-ylthio)-3-buten-2-one IUPAC Name: (E)-4-phenyl-1-(1H-1,2,4-triazol-5-ylsulfanyl)but-3-en-2-one Traditional Name: (E)-4-phenyl-1-(1H-1,2,4-triazol-5-ylthio)but-3-en-2-one Formula: C12H11N3OS MolecularWeight: 245.30024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)CSC2=NC=NN2

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)CSC2=NC=NN2

InChI

InChI=1S/C12H11N3OS/c16-11(8-17-12-13-9-14-15-12)7-6-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,13,14,15)/b7-6+