(4E)-5-methyl-4-[[(3-nitrophenyl)amino]methylidene]-2-(phenylmethyl)pyrazole-3-thione

Systemtic Name: (4E)-5-methyl-4-[[(3-nitrophenyl)amino]methylidene]-2-(phenylmethyl)pyrazole-3-thione Openeye Name: (4E)-2-benzyl-5-methyl-4-[(3-nitroanilino)methylene]pyrazole-3-thione CAS Name: (4E)-5-methyl-4-[(3-nitroanilino)methylidene]-2-(phenylmethyl)-3-pyrazolethione IUPAC Name: (4E)-2-benzyl-5-methyl-4-[(3-nitroanilino)methylidene]pyrazole-3-thione Traditional Name: (4E)-2-benzyl-5-methyl-4-[(3-nitroanilino)methylene]-2-pyrazoline-3-thione Formula: C18H16N4O2S MolecularWeight: 352.41024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)C1=CNC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=S)/C1=C/NC2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H16N4O2S/c1-13-17(11-19-15-8-5-9-16(10-15)22(23)24)18(25)21(20-13)12-14-6-3-2-4-7-14/h2-11,19H,12H2,1H3/b17-11+