2-[4-[(2Z)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]phenyl]sulfanylbutanedioic acid

Systemtic Name: 2-[4-[(2Z)-2-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)hydrazinyl]phenyl]sulfanylbutanedioic acid Openeye Name: 2-[4-[(2Z)-2-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)hydrazino]phenyl]sulfanylbutanedioic acid CAS Name: 2-[[4-[(2Z)-2-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)hydrazinyl]phenyl]thio]butanedioic acid IUPAC Name: 2-[4-[(2Z)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinyl]phenyl]sulfanylbutanedioic acid Traditional Name: 2-[[4-[(N'Z)-N'-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)hydrazino]phenyl]thio]succinic acid Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)SC(CC(=O)O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=N\NC2=CC=C(C=C2)SC(CC(=O)O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N4O5S/c1-12-18(19(27)24(23-12)14-5-3-2-4-6-14)22-21-13-7-9-15(10-8-13)30-16(20(28)29)11-17(25)26/h2-10,16,21H,11H2,1H3,(H,25,26)(H,28,29)/b22-18-