5-hepta-2,4,6-triynylsulfanyl-2,4-dimethyl-1,2,4-triazol-3-one

Systemtic Name: 5-hepta-2,4,6-triynylsulfanyl-2,4-dimethyl-1,2,4-triazol-3-one Openeye Name: 5-hepta-2,4,6-triynylsulfanyl-2,4-dimethyl-1,2,4-triazol-3-one CAS Name: 5-(hepta-2,4,6-triynylthio)-2,4-dimethyl-1,2,4-triazol-3-one IUPAC Name: 5-hepta-2,4,6-triynylsulfanyl-2,4-dimethyl-1,2,4-triazol-3-one Traditional Name: 5-(hepta-2,4,6-triynylthio)-2,4-dimethyl-1,2,4-triazol-3-one Formula: C11H9N3OS MolecularWeight: 231.27366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)C)SCC#CC#CC#C

Isomeric SMILES

CN1C(=NN(C1=O)C)SCC#CC#CC#C

InChI

InChI=1S/C11H9N3OS/c1-4-5-6-7-8-9-16-10-12-14(3)11(15)13(10)2/h1H,9H2,2-3H3