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

Systemtic Name: 2-[(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxidanylidene-pyrazol-4-ylidene]hydrazinyl]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-pyrazol-4-ylidene]hydrazino]benzamide CAS Name: 2-[(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxo-4-pyrazolylidene]hydrazinyl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[(2Z)-2-[1-carbamothioyl-3-(4-nitrophenyl)-5-oxopyrazol-4-ylidene]hydrazinyl]benzamide Traditional Name: N-benzyl-2-[(N'Z)-N'-[5-keto-3-(4-nitrophenyl)-1-thiocarbamoyl-2-pyrazolin-4-ylidene]hydrazino]benzamide Formula: C24H19N7O4S MolecularWeight: 501.51716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NN=C3C(=NN(C3=O)C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2N/N=C\3/C(=NN(C3=O)C(=S)N)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H19N7O4S/c25-24(36)30-23(33)21(20(29-30)16-10-12-17(13-11-16)31(34)35)28-27-19-9-5-4-8-18(19)22(32)26-14-15-6-2-1-3-7-15/h1-13,27H,14H2,(H2,25,36)(H,26,32)/b28-21-