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

Systemtic Name: 4-(3-bromophenyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine Openeye Name: N-allyl-4-(3-bromophenyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiazol-2-imine CAS Name: 4-(3-bromophenyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-prop-2-enyl-2-thiazolimine IUPAC Name: 4-(3-bromophenyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine Traditional Name: allyl-[4-(3-bromophenyl)-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-thiazolin-2-ylidene]amine Formula: C20H15BrN4O4S MolecularWeight: 487.3265

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN4O4S/c1-2-6-22-20-24(17(11-30-20)13-4-3-5-15(21)7-13)23-10-14-8-18-19(29-12-28-18)9-16(14)25(26)27/h2-5,7-11H,1,6,12H2/b22-20?,23-10+