4-(4-methyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(4-methyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-(4-methyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-[4-methyl-3-(prop-2-ynylthio)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(4-methyl-3-prop-2-ynylsulfanyl-1H-1,2,4-triazol-5-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-methyl-3-(propargylthio)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C12H11N3OS MolecularWeight: 245.30024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC#C

Isomeric SMILES

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC#C

InChI

InChI=1S/C12H11N3OS/c1-3-8-17-12-14-13-11(15(12)2)9-4-6-10(16)7-5-9/h1,4-7,13H,8H2,2H3