4-[1-[(3,5-dimethyl-1,2,4-triazol-4-yl)amino]propylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[1-[(3,5-dimethyl-1,2,4-triazol-4-yl)amino]propylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[1-[(3,5-dimethyl-1,2,4-triazol-4-yl)amino]propylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[1-[(3,5-dimethyl-1,2,4-triazol-4-yl)amino]propylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[1-[(3,5-dimethyl-1,2,4-triazol-4-yl)amino]propylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[1-[(3,5-dimethyl-1,2,4-triazol-4-yl)amino]propylidene]cyclohexa-2,5-dien-1-one Formula: C13H16N4O MolecularWeight: 244.29234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C=CC(=O)C=C1)NN2C(=NN=C2C)C

Isomeric SMILES

CCC(=C1C=CC(=O)C=C1)NN2C(=NN=C2C)C

InChI

InChI=1S/C13H16N4O/c1-4-13(11-5-7-12(18)8-6-11)16-17-9(2)14-15-10(17)3/h5-8,16H,4H2,1-3H3