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

Systemtic Name: N-[(2-methylphenyl)methyl]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-amine Openeye Name: 3-(1-methyltetrazol-5-yl)sulfanyl-N-(o-tolylmethyl)propan-1-amine CAS Name: N-[(2-methylphenyl)methyl]-3-[(1-methyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-[(2-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: (2-methylbenzyl)-[3-[(1-methyltetrazol-5-yl)thio]propyl]amine Formula: C13H19N5S MolecularWeight: 277.38846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNCCCSC2=NN=NN2C

Isomeric SMILES

CC1=CC=CC=C1CNCCCSC2=NN=NN2C

InChI

InChI=1S/C13H19N5S/c1-11-6-3-4-7-12(11)10-14-8-5-9-19-13-15-16-17-18(13)2/h3-4,6-7,14H,5,8-10H2,1-2H3