1-butyl-5-chloranyl-3-methyl-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]pyrazole

Systemtic Name: 1-butyl-5-chloranyl-3-methyl-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]pyrazole Openeye Name: 1-butyl-5-chloro-3-methyl-4-[(E)-2-(4-nitrophenyl)sulfonylvinyl]pyrazole CAS Name: 1-butyl-5-chloro-3-methyl-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]pyrazole IUPAC Name: 1-butyl-5-chloro-3-methyl-4-[(E)-2-(4-nitrophenyl)sulfonylethenyl]pyrazole Traditional Name: 1-butyl-5-chloro-3-methyl-4-[(E)-2-nosylvinyl]pyrazole Formula: C16H18ClN3O4S MolecularWeight: 383.84982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=CS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)/C=C/S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H18ClN3O4S/c1-3-4-10-19-16(17)15(12(2)18-19)9-11-25(23,24)14-7-5-13(6-8-14)20(21)22/h5-9,11H,3-4,10H2,1-2H3/b11-9+