3-(3-imidazol-1-ylpropyl)-N-(3-methylphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine

Systemtic Name: 3-(3-imidazol-1-ylpropyl)-N-(3-methylphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: 3-(3-imidazol-1-ylpropyl)-N-(m-tolyl)-4-(3-nitrophenyl)thiazol-2-imine CAS Name: 3-[3-(1-imidazolyl)propyl]-N-(3-methylphenyl)-4-(3-nitrophenyl)-2-thiazolimine IUPAC Name: 3-(3-imidazol-1-ylpropyl)-N-(3-methylphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: [3-(3-imidazol-1-ylpropyl)-4-(3-nitrophenyl)-4-thiazolin-2-ylidene]-(m-tolyl)amine Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2S/c1-17-5-2-7-19(13-17)24-22-26(11-4-10-25-12-9-23-16-25)21(15-30-22)18-6-3-8-20(14-18)27(28)29/h2-3,5-9,12-16H,4,10-11H2,1H3