1-[[(1Z)-1-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)octyl]amino]thiourea

Systemtic Name: 1-[[(1Z)-1-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)octyl]amino]thiourea Openeye Name: [[(1Z)-1-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)octyl]amino]thiourea CAS Name: [[(1Z)-1-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)octyl]amino]thiourea IUPAC Name: [[(1Z)-1-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)octyl]amino]thiourea Traditional Name: [[(1Z)-1-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)octyl]amino]thiourea Formula: C19H27N5OS MolecularWeight: 373.51558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=C1C(=NN(C1=O)C2=CC=CC=C2)C)NNC(=S)N

Isomeric SMILES

CCCCCCC/C(=C/1\C(=NN(C1=O)C2=CC=CC=C2)C)/NNC(=S)N

InChI

InChI=1S/C19H27N5OS/c1-3-4-5-6-10-13-16(21-22-19(20)26)17-14(2)23-24(18(17)25)15-11-8-7-9-12-15/h7-9,11-12,21H,3-6,10,13H2,1-2H3,(H3,20,22,26)/b17-16-