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

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[(1-phenyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(1-phenyltetrazol-5-yl)sulfanylethanamine Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]amine Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNCCSC2=NN=NN2C3=CC=CC=C3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNCCSC2=NN=NN2C3=CC=CC=C3)OC

InChI

InChI=1S/C19H23N5O2S/c1-3-26-17-10-9-15(13-18(17)25-2)14-20-11-12-27-19-21-22-23-24(19)16-7-5-4-6-8-16/h4-10,13,20H,3,11-12,14H2,1-2H3