N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-4-nitro-aniline

Systemtic Name: N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]-4-nitro-aniline Openeye Name: 4-nitro-N-[(E)-[3-nitro-4-(p-tolylsulfanyl)phenyl]methyleneamino]aniline CAS Name: N-[(E)-[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylideneamino]-4-nitroaniline IUPAC Name: N-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]-4-nitroaniline Traditional Name: (4-nitrophenyl)-[(E)-[3-nitro-4-(p-tolylthio)benzylidene]amino]amine Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NNC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/NC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O4S/c1-14-2-9-18(10-3-14)29-20-11-4-15(12-19(20)24(27)28)13-21-22-16-5-7-17(8-6-16)23(25)26/h2-13,22H,1H3/b21-13+