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

Systemtic Name: 4-(2-methoxyphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine Openeye Name: N-allyl-4-(2-methoxyphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiazol-2-imine CAS Name: 4-(2-methoxyphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-prop-2-enyl-2-thiazolimine IUPAC Name: 4-(2-methoxyphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine Traditional Name: allyl-[4-(2-methoxyphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-thiazolin-2-ylidene]amine Formula: C21H18N4O5S MolecularWeight: 438.45642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CSC(=NCC=C)N2N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

COC1=CC=CC=C1C2=CSC(=NCC=C)N2N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C21H18N4O5S/c1-3-8-22-21-24(17(12-31-21)15-6-4-5-7-18(15)28-2)23-11-14-9-19-20(30-13-29-19)10-16(14)25(26)27/h3-7,9-12H,1,8,13H2,2H3