N-[(4-methoxyphenyl)methyl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[(4-methoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]ethyl-p-anisyl-amine Formula: C12H17N5OS MolecularWeight: 279.36128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCNCC2=CC=C(C=C2)OC

Isomeric SMILES

CN1C(=NN=N1)SCCNCC2=CC=C(C=C2)OC

InChI

InChI=1S/C12H17N5OS/c1-17-12(14-15-16-17)19-8-7-13-9-10-3-5-11(18-2)6-4-10/h3-6,13H,7-9H2,1-2H3