4-(4-ethyl-3-phenacylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(4-ethyl-3-phenacylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-(4-ethyl-3-phenacylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-[4-ethyl-3-(phenacylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(4-ethyl-3-phenacylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-ethyl-3-(phenacylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C18H17N3O2S MolecularWeight: 339.41148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-2-21-17(14-8-10-15(22)11-9-14)19-20-18(21)24-12-16(23)13-6-4-3-5-7-13/h3-11,19H,2,12H2,1H3