N-(4-butylphenyl)-1-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methanimine

Systemtic Name: N-(4-butylphenyl)-1-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methanimine Openeye Name: N-(4-butylphenyl)-1-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methanimine CAS Name: N-(4-butylphenyl)-1-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]methanimine IUPAC Name: N-(4-butylphenyl)-1-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]methanimine Traditional Name: (4-butylphenyl)-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-benzylidene]amine Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O2S/c1-3-4-5-16-6-9-18(10-7-16)23-15-17-8-11-20(19(14-17)25(26)27)28-21-22-12-13-24(21)2/h6-15H,3-5H2,1-2H3