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

Systemtic Name: (E)-1-phenyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-(1H-1,2,4-triazol-5-ylthio)-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(1H-1,2,4-triazol-5-ylsulfanyl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-(1H-1,2,4-triazol-5-ylthio)prop-2-en-1-one Formula: C11H9N3OS MolecularWeight: 231.27366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C=C/SC2=NC=NN2

InChI

InChI=1S/C11H9N3OS/c15-10(9-4-2-1-3-5-9)6-7-16-11-12-8-13-14-11/h1-8H,(H,12,13,14)/b7-6+