N-(3-chloranyl-4-methyl-phenyl)-3-(3-imidazol-1-ylpropyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-(3-imidazol-1-ylpropyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-(3-imidazol-1-ylpropyl)-4-(4-nitrophenyl)thiazol-2-imine CAS Name: N-(3-chloro-4-methylphenyl)-3-[3-(1-imidazolyl)propyl]-4-(4-nitrophenyl)-2-thiazolimine IUPAC Name: N-(3-chloro-4-methylphenyl)-3-(3-imidazol-1-ylpropyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: (3-chloro-4-methyl-phenyl)-[3-(3-imidazol-1-ylpropyl)-4-(4-nitrophenyl)-4-thiazolin-2-ylidene]amine Formula: C22H20ClN5O2S MolecularWeight: 453.9445

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])CCCN4C=CN=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])CCCN4C=CN=C4)Cl

InChI

InChI=1S/C22H20ClN5O2S/c1-16-3-6-18(13-20(16)23)25-22-27(11-2-10-26-12-9-24-15-26)21(14-31-22)17-4-7-19(8-5-17)28(29)30/h3-9,12-15H,2,10-11H2,1H3