[[1-azanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [[1-azanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] 4-methylbenzenesulfonate Openeye Name: [[1-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[1-amino-2-[3-(trifluoromethyl)-1-pyrazolyl]ethylidene]amino] ester IUPAC Name: [[1-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[1-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] ester Formula: C13H13F3N4O3S MolecularWeight: 362.32753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(CN2C=CC(=N2)C(F)(F)F)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON=C(CN2C=CC(=N2)C(F)(F)F)N

InChI

InChI=1S/C13H13F3N4O3S/c1-9-2-4-10(5-3-9)24(21,22)23-19-12(17)8-20-7-6-11(18-20)13(14,15)16/h2-7H,8H2,1H3,(H2,17,19)