3-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylphenyl)-4-(3-nitrophenyl)thiazol-2-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylphenyl)-4-(3-nitrophenyl)-2-thiazolimine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2,3-dimethylphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: (2,3-dimethylphenyl)-[4-(3-nitrophenyl)-3-piperonyl-4-thiazolin-2-ylidene]amine Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N=C2N(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N=C2N(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C25H21N3O4S/c1-16-5-3-8-21(17(16)2)26-25-27(13-18-9-10-23-24(11-18)32-15-31-23)22(14-33-25)19-6-4-7-20(12-19)28(29)30/h3-12,14H,13,15H2,1-2H3