1-[[(5E)-5-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]carbonylamino]thiourea

Systemtic Name: 1-[[(5E)-5-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]carbonylamino]thiourea Openeye Name: [[(5E)-5-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carbonyl]amino]thiourea CAS Name: [[[(5E)-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-3-yl]-oxomethyl]amino]thiourea IUPAC Name: [[(5E)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carbonyl]amino]thiourea Traditional Name: [[(5E)-5-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carbonyl]amino]thiourea Formula: C12H13N5O2S MolecularWeight: 291.32892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NN2)C(=O)NNC(=S)N)C(=O)C=C1

Isomeric SMILES

CC1=C/C(=C\2/C=C(NN2)C(=O)NNC(=S)N)/C(=O)C=C1

InChI

InChI=1S/C12H13N5O2S/c1-6-2-3-10(18)7(4-6)8-5-9(15-14-8)11(19)16-17-12(13)20/h2-5,14-15H,1H3,(H,16,19)(H3,13,17,20)/b8-7+