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

Systemtic Name: N-[(E)-(5-azanylidene-3-methyl-1-phenyl-pyrazol-4-ylidene)amino]-4-ethylsulfonyl-2-nitro-aniline Openeye Name: 4-ethylsulfonyl-N-[(E)-(5-imino-3-methyl-1-phenyl-pyrazol-4-ylidene)amino]-2-nitro-aniline CAS Name: 4-ethylsulfonyl-N-[(E)-(5-imino-3-methyl-1-phenyl-4-pyrazolylidene)amino]-2-nitroaniline IUPAC Name: 4-ethylsulfonyl-N-[(E)-(5-imino-3-methyl-1-phenylpyrazol-4-ylidene)amino]-2-nitroaniline Traditional Name: (4-esyl-2-nitro-phenyl)-[(E)-(5-imino-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)amino]amine Formula: C18H18N6O4S MolecularWeight: 414.43832

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)NN=C2C(=NN(C2=N)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)N/N=C/2\C(=NN(C2=N)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O4S/c1-3-29(27,28)14-9-10-15(16(11-14)24(25)26)20-21-17-12(2)22-23(18(17)19)13-7-5-4-6-8-13/h4-11,19-20H,3H2,1-2H3/b19-18?,21-17+