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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=NC3=CC=CC=C3[N+](=O)[O-])N2CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=NC3=CC=CC=C3[N+](=O)[O-])N2CC4=CC5=C(C=C4)OCO5)C

InChI

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