(4-nitrophenyl)methyl 3-methyl-5-oxidanyl-5-phenyl-4H-pyrazole-1-carbodithioate

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-5-oxidanyl-5-phenyl-4H-pyrazole-1-carbodithioate Openeye Name: (4-nitrophenyl)methyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carbodithioate CAS Name: 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carbodithioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-hydroxy-3-methyl-5-phenyl-4H-pyrazole-1-carbodithioate Traditional Name: 5-hydroxy-3-methyl-5-phenyl-2-pyrazoline-1-carbodithioic acid (4-nitrobenzyl) ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=S)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=S)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S2/c1-13-11-18(22,15-5-3-2-4-6-15)20(19-13)17(25)26-12-14-7-9-16(10-8-14)21(23)24/h2-10,22H,11-12H2,1H3