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

Systemtic Name: N-[(3-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-(m-tolylmethyl)propan-1-amine CAS Name: N-[(3-methylphenyl)methyl]-3-[(1-methyl-5-tetrazolyl)thio]-1-propanamine IUPAC Name: N-[(3-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine Traditional Name: (3-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=C1)CNCCCSC2=NN=NN2C

Isomeric SMILES

CC1=CC(=CC=C1)CNCCCSC2=NN=NN2C

InChI

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