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

Systemtic Name: 1-[[(5E)-5-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazol-3-yl]carbonylamino]-3-phenyl-thiourea Openeye Name: 1-[[(5E)-5-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carbonyl]amino]-3-phenyl-thiourea CAS Name: 1-[[[(5E)-5-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazol-3-yl]-oxomethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[(5E)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carbonyl]amino]-3-phenylthiourea Traditional Name: 1-[[(5E)-5-(6-keto-3-methyl-cyclohexa-2,4-dien-1-ylidene)-3-pyrazoline-3-carbonyl]amino]-3-phenyl-thiourea Formula: C18H17N5O2S MolecularWeight: 367.42488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NN2)C(=O)NNC(=S)NC3=CC=CC=C3)C(=O)C=C1

Isomeric SMILES

CC1=C/C(=C\2/C=C(NN2)C(=O)NNC(=S)NC3=CC=CC=C3)/C(=O)C=C1

InChI

InChI=1S/C18H17N5O2S/c1-11-7-8-16(24)13(9-11)14-10-15(21-20-14)17(25)22-23-18(26)19-12-5-3-2-4-6-12/h2-10,20-21H,1H3,(H,22,25)(H2,19,23,26)/b14-13+