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

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine hydrochloride Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-ethanamine hydrochloride CAS Name: N-[(3,4-diethoxyphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine hydrochloride IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine hydrochloride Traditional Name: (3,4-diethoxybenzyl)-[2-[(1-methyltetrazol-5-yl)thio]ethyl]amine hydrochloride Formula: C15H24ClN5O2S MolecularWeight: 373.90136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNCCSC2=NN=NN2C)OCC.Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNCCSC2=NN=NN2C)OCC.Cl

InChI

InChI=1S/C15H23N5O2S.ClH/c1-4-21-13-7-6-12(10-14(13)22-5-2)11-16-8-9-23-15-17-18-19-20(15)3;/h6-7,10,16H,4-5,8-9,11H2,1-3H3;1H