[5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2,3-dimethoxybenzoate

Systemtic Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2,3-dimethoxybenzoate Openeye Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenyl-pyrazol-3-yl] 2,3-dimethoxybenzoate CAS Name: 2,3-dimethoxybenzoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-3-pyrazolyl] ester IUPAC Name: [5-methyl-4-(2-nitrophenyl)sulfanyl-2-phenylpyrazol-3-yl] 2,3-dimethoxybenzoate Traditional Name: 2,3-dimethoxybenzoic acid [5-methyl-4-[(2-nitrophenyl)thio]-2-phenyl-pyrazol-3-yl] ester Formula: C25H21N3O6S MolecularWeight: 491.51574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=C(C(=CC=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2[N+](=O)[O-])OC(=O)C3=C(C(=CC=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O6S/c1-16-23(35-21-15-8-7-13-19(21)28(30)31)24(27(26-16)17-10-5-4-6-11-17)34-25(29)18-12-9-14-20(32-2)22(18)33-3/h4-15H,1-3H3