4-(4-bromophenyl)-N-(2-methylprop-2-enyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine

Systemtic Name: 4-(4-bromophenyl)-N-(2-methylprop-2-enyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine Openeye Name: 4-(4-bromophenyl)-N-(2-methylallyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiazol-2-imine CAS Name: 4-(4-bromophenyl)-N-(2-methylprop-2-enyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-2-thiazolimine IUPAC Name: 4-(4-bromophenyl)-N-(2-methylprop-2-enyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-2-imine Traditional Name: [4-(4-bromophenyl)-2-(2-methylallylimino)-4-thiazolin-3-yl]-[(6-nitro-1,3-benzodioxol-5-yl)methylene]amine Formula: C21H17BrN4O4S MolecularWeight: 501.35308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN4O4S/c1-13(2)9-23-21-25(18(11-31-21)14-3-5-16(22)6-4-14)24-10-15-7-19-20(30-12-29-19)8-17(15)26(27)28/h3-8,10-11H,1,9,12H2,2H3