2-(4-bromophenyl)sulfanyl-N-[(2-phenyl-1,2,3-triazol-4-yl)methyl]ethanamine

Systemtic Name: 2-(4-bromophenyl)sulfanyl-N-[(2-phenyl-1,2,3-triazol-4-yl)methyl]ethanamine Openeye Name: 2-(4-bromophenyl)sulfanyl-N-[(2-phenyltriazol-4-yl)methyl]ethanamine CAS Name: 2-[(4-bromophenyl)thio]-N-[(2-phenyl-4-triazolyl)methyl]ethanamine IUPAC Name: 2-(4-bromophenyl)sulfanyl-N-[(2-phenyltriazol-4-yl)methyl]ethanamine Traditional Name: 2-[(4-bromophenyl)thio]ethyl-[(2-phenyltriazol-4-yl)methyl]amine Formula: C17H17BrN4S MolecularWeight: 389.31268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=CC(=N2)CNCCSC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)N2N=CC(=N2)CNCCSC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H17BrN4S/c18-14-6-8-17(9-7-14)23-11-10-19-12-15-13-20-22(21-15)16-4-2-1-3-5-16/h1-9,13,19H,10-12H2