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

Systemtic Name: N-[(4-ethylphenyl)methyl]-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamine Openeye Name: N-[(4-ethylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanyl-ethanamine CAS Name: N-[(4-ethylphenyl)methyl]-2-[(1-methyl-5-tetrazolyl)thio]ethanamine IUPAC Name: N-[(4-ethylphenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylethanamine Traditional Name: (4-ethylbenzyl)-[2-[(1-methyltetrazol-5-yl)thio]ethyl]amine Formula: C13H19N5S MolecularWeight: 277.38846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CNCCSC2=NN=NN2C

Isomeric SMILES

CCC1=CC=C(C=C1)CNCCSC2=NN=NN2C

InChI

InChI=1S/C13H19N5S/c1-3-11-4-6-12(7-5-11)10-14-8-9-19-13-15-16-17-18(13)2/h4-7,14H,3,8-10H2,1-2H3