4-[[5-azanylidene-1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-ylidene]amino]-6-methoxy-benzene-1,3-diamine

Systemtic Name: 4-[[5-azanylidene-1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-ylidene]amino]-6-methoxy-benzene-1,3-diamine Openeye Name: 4-[[5-imino-1-isopropyl-3-(trifluoromethyl)pyrazol-4-ylidene]amino]-6-methoxy-benzene-1,3-diamine CAS Name: 4-[[5-imino-1-propan-2-yl-3-(trifluoromethyl)-4-pyrazolylidene]amino]-6-methoxybenzene-1,3-diamine IUPAC Name: 4-[[5-imino-1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-ylidene]amino]-6-methoxybenzene-1,3-diamine Traditional Name: [5-amino-2-[[5-imino-1-isopropyl-3-(trifluoromethyl)-2-pyrazolin-4-ylidene]amino]-4-methoxy-phenyl]amine Formula: C14H17F3N6O MolecularWeight: 342.31959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=N)C(=NC2=CC(=C(C=C2N)N)OC)C(=N1)C(F)(F)F

Isomeric SMILES

CC(C)N1C(=N)C(=NC2=CC(=C(C=C2N)N)OC)C(=N1)C(F)(F)F

InChI

InChI=1S/C14H17F3N6O/c1-6(2)23-13(20)11(12(22-23)14(15,16)17)21-9-5-10(24-3)8(19)4-7(9)18/h4-6,20H,18-19H2,1-3H3