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

Systemtic Name: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(phenylmethyl)azaniumyl]ethanimidate Openeye Name: 2-(benzylammonio)-N-[4-(4-bromophenyl)thiazol-2-yl]ethanimidate CAS Name: N-[4-(4-bromophenyl)-2-thiazolyl]-2-[(phenylmethyl)ammonio]ethanimidate IUPAC Name: 2-(benzylazaniumyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethanimidate Traditional Name: 2-(benzylammonio)-N-[4-(4-bromophenyl)thiazol-2-yl]acetimidate Formula: C18H16BrN3OS MolecularWeight: 402.30814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CC(=NC2=NC(=CS2)C3=CC=C(C=C3)Br)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CC(=NC2=NC(=CS2)C3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C18H16BrN3OS/c19-15-8-6-14(7-9-15)16-12-24-18(21-16)22-17(23)11-20-10-13-4-2-1-3-5-13/h1-9,12,20H,10-11H2,(H,21,22,23)