N-[(4-bromophenyl)methyl]-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine

Systemtic Name: N-[(4-bromophenyl)methyl]-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine Openeye Name: N-[(4-bromophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanyl-propan-1-amine CAS Name: N-[(4-bromophenyl)methyl]-3-[(1-phenyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-[(4-bromophenyl)methyl]-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: (4-bromobenzyl)-[3-[(1-phenyltetrazol-5-yl)thio]propyl]amine Formula: C17H18BrN5S MolecularWeight: 404.32732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCCCNCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCCCNCC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H18BrN5S/c18-15-9-7-14(8-10-15)13-19-11-4-12-24-17-20-21-22-23(17)16-5-2-1-3-6-16/h1-3,5-10,19H,4,11-13H2