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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethylphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethylphenyl)-4-(3-nitrophenyl)thiazol-2-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethylphenyl)-4-(3-nitrophenyl)-2-thiazolimine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethylphenyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: (4-ethylphenyl)-[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:

CCC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

InChI

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