N,N-dimethyl-2-nitro-4-[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]aniline

Systemtic Name: N,N-dimethyl-2-nitro-4-[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]aniline Openeye Name: 4-[(2-allylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]-N,N-dimethyl-2-nitro-aniline CAS Name: N,N-dimethyl-2-nitro-4-[[2-(prop-2-enylthio)-1,3-benzothiazol-6-yl]iminomethyl]aniline IUPAC Name: N,N-dimethyl-2-nitro-4-[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]aniline Traditional Name: [4-[[2-(allylthio)-1,3-benzothiazol-6-yl]iminomethyl]-2-nitro-phenyl]-dimethyl-amine Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C=NC2=CC3=C(C=C2)N=C(S3)SCC=C)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C=NC2=CC3=C(C=C2)N=C(S3)SCC=C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O2S2/c1-4-9-26-19-21-15-7-6-14(11-18(15)27-19)20-12-13-5-8-16(22(2)3)17(10-13)23(24)25/h4-8,10-12H,1,9H2,2-3H3