2-[(4-bromophenyl)methyl-methyl-azaniumyl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidate

Systemtic Name: 2-[(4-bromophenyl)methyl-methyl-azaniumyl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidate Openeye Name: 2-[(4-bromophenyl)methyl-methyl-ammonio]-N-[4-(3-nitrophenyl)thiazol-2-yl]ethanimidate CAS Name: 2-[(4-bromophenyl)methyl-methylammonio]-N-[4-(3-nitrophenyl)-2-thiazolyl]ethanimidate IUPAC Name: 2-[(4-bromophenyl)methyl-methylazaniumyl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanimidate Traditional Name: 2-[(4-bromobenzyl)-methyl-ammonio]-N-[4-(3-nitrophenyl)thiazol-2-yl]acetimidate Formula: C19H17BrN4O3S MolecularWeight: 461.33228

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)Br)CC(=NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)Br)CC(=NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H17BrN4O3S/c1-23(10-13-5-7-15(20)8-6-13)11-18(25)22-19-21-17(12-28-19)14-3-2-4-16(9-14)24(26)27/h2-9,12H,10-11H2,1H3,(H,21,22,25)