3-(1,3-benzodioxol-5-ylmethylideneamino)-N-(2-methylprop-2-enyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylideneamino)-N-(2-methylprop-2-enyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: 3-(1,3-benzodioxol-5-ylmethyleneamino)-N-(2-methylallyl)-4-(3-nitrophenyl)thiazol-2-imine CAS Name: 3-(1,3-benzodioxol-5-ylmethylideneamino)-N-(2-methylprop-2-enyl)-4-(3-nitrophenyl)-2-thiazolimine IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylideneamino)-N-(2-methylprop-2-enyl)-4-(3-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: 2-methylallyl-[4-(3-nitrophenyl)-3-(piperonylideneamino)-4-thiazolin-2-ylidene]amine Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CN=C1N(C(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])N=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=C)CN=C1N(C(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])N=CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N4O4S/c1-14(2)10-22-21-24(23-11-15-6-7-19-20(8-15)29-13-28-19)18(12-30-21)16-4-3-5-17(9-16)25(26)27/h3-9,11-12H,1,10,13H2,2H3