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

Systemtic Name: 4-(3,4-dimethylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine Openeye Name: N-allyl-4-(3,4-dimethylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiazol-2-imine CAS Name: 4-(3,4-dimethylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-prop-2-enyl-2-thiazolimine IUPAC Name: 4-(3,4-dimethylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine Traditional Name: allyl-[4-(3,4-dimethylphenyl)-3-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-thiazolin-2-ylidene]amine Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=NCC=C)N2N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=NCC=C)N2N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C

InChI

InChI=1S/C22H20N4O4S/c1-4-7-23-22-25(19(12-31-22)16-6-5-14(2)15(3)8-16)24-11-17-9-20-21(30-13-29-20)10-18(17)26(27)28/h4-6,8-12H,1,7,13H2,2-3H3