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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-4-(4-nitrophenyl)thiazol-2-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-4-(4-nitrophenyl)-2-thiazolimine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(4-ethoxyphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: [4-(4-nitrophenyl)-3-piperonyl-4-thiazolin-2-ylidene]-p-phenetyl-amine Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21N3O5S/c1-2-31-21-10-6-19(7-11-21)26-25-27(14-17-3-12-23-24(13-17)33-16-32-23)22(15-34-25)18-4-8-20(9-5-18)28(29)30/h3-13,15H,2,14,16H2,1H3