N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitro-phenyl]-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitrophenyl]-5-methyl-1,3-diphenyl-4-pyrazolecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-ylsulfanyl)-5-nitrophenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-ylthio)-5-nitro-phenyl]-5-methyl-1,3-diphenyl-pyrazole-4-carboxamide Formula: C30H21N5O3S2 MolecularWeight: 563.64944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)SC5=NC6=CC=CC=C6S5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)SC5=NC6=CC=CC=C6S5)[N+](=O)[O-]

InChI

InChI=1S/C30H21N5O3S2/c1-19-27(28(20-10-4-2-5-11-20)33-34(19)22-12-6-3-7-13-22)29(36)31-21-16-23(35(37)38)18-24(17-21)39-30-32-25-14-8-9-15-26(25)40-30/h2-18H,1H3,(H,31,36)