[(Z)-[1-(5-azanyl-3-methyl-pyrazol-1-yl)-3-phenyl-propylidene]amino] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-[1-(5-azanyl-3-methyl-pyrazol-1-yl)-3-phenyl-propylidene]amino] 4-methylbenzenesulfonate Openeye Name: [(Z)-[1-(5-amino-3-methyl-pyrazol-1-yl)-3-phenyl-propylidene]amino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-[1-(5-amino-3-methyl-1-pyrazolyl)-3-phenylpropylidene]amino] ester IUPAC Name: [(Z)-[1-(5-amino-3-methylpyrazol-1-yl)-3-phenylpropylidene]amino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-[1-(5-amino-3-methyl-pyrazol-1-yl)-3-phenyl-propylidene]amino] ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON=C(CCC2=CC=CC=C2)N3C(=CC(=N3)C)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/N=C(/CCC2=CC=CC=C2)\N3C(=CC(=N3)C)N

InChI

InChI=1S/C20H22N4O3S/c1-15-8-11-18(12-9-15)28(25,26)27-23-20(24-19(21)14-16(2)22-24)13-10-17-6-4-3-5-7-17/h3-9,11-12,14H,10,13,21H2,1-2H3/b23-20-