N-[(E)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methylideneamino]octanamide

Systemtic Name: N-[(E)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methylideneamino]octanamide Openeye Name: N-[(E)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methyleneamino]octanamide CAS Name: N-[(E)-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]methylideneamino]octanamide IUPAC Name: N-[(E)-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]methylideneamino]octanamide Traditional Name: N-[(E)-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-benzylidene]amino]caprylamide Formula: C19H25N5O3S MolecularWeight: 403.4985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NN=CC1=CC(=C(C=C1)SC2=NC=CN2C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)N/N=C/C1=CC(=C(C=C1)SC2=NC=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O3S/c1-3-4-5-6-7-8-18(25)22-21-14-15-9-10-17(16(13-15)24(26)27)28-19-20-11-12-23(19)2/h9-14H,3-8H2,1-2H3,(H,22,25)/b21-14+