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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromophenyl)-N-(2-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromophenyl)-N-(2-nitrophenyl)thiazol-2-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromophenyl)-N-(2-nitrophenyl)-2-thiazolimine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-(3-bromophenyl)-N-(2-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: [4-(3-bromophenyl)-3-piperonyl-4-thiazolin-2-ylidene]-(2-nitrophenyl)amine Formula: C23H16BrN3O4S MolecularWeight: 510.35984

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=CSC3=NC4=CC=CC=C4[N+](=O)[O-])C5=CC(=CC=C5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=CSC3=NC4=CC=CC=C4[N+](=O)[O-])C5=CC(=CC=C5)Br

InChI

InChI=1S/C23H16BrN3O4S/c24-17-5-3-4-16(11-17)20-13-32-23(25-18-6-1-2-7-19(18)27(28)29)26(20)12-15-8-9-21-22(10-15)31-14-30-21/h1-11,13H,12,14H2