N-[(E)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)amino]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[(E)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)amino]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[(E)-(5-imino-3-methyl-1-phenyl-pyrazol-4-ylidene)amino]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[(E)-(5-imino-3-methyl-1-phenyl-4-pyrazolylidene)amino]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[(E)-(5-imino-3-methyl-1-phenylpyrazol-4-ylidene)amino]-4-methylsulfonyl-2-nitroaniline Traditional Name: [(E)-(5-imino-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)amino]-(4-mesyl-2-nitro-phenyl)amine Formula: C17H16N6O4S MolecularWeight: 400.41174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=N)C1=NNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O4S/c1-11-16(17(18)22(21-11)12-6-4-3-5-7-12)20-19-14-9-8-13(28(2,26)27)10-15(14)23(24)25/h3-10,18-19H,1-2H3/b18-17?,20-16+