N-[4-[(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]phenyl]ethanamide

Systemtic Name: N-[4-[(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]phenyl]ethanamide Openeye Name: N-[4-[(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]phenyl]acetamide CAS Name: N-[4-[(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]phenyl]acetamide IUPAC Name: N-[4-[(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]phenyl]acetamide Traditional Name: N-[4-[(N'Z)-N'-[5-keto-3-(4-nitrophenyl)-1-thiocarbamoyl-2-pyrazolin-4-ylidene]hydrazino]phenyl]acetamide Formula: C18H15N7O4S MolecularWeight: 425.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N/N=C\2/C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N7O4S/c1-10(26)20-12-4-6-13(7-5-12)21-22-16-15(23-24(17(16)27)18(19)30)11-2-8-14(9-3-11)25(28)29/h2-9,21H,1H3,(H2,19,30)(H,20,26)/b22-16-