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

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(pyridin-4-ylmethyl)propan-1-amine Openeye Name: 3-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyridylmethyl)propan-1-amine CAS Name: 3-[(1-methyl-5-tetrazolyl)thio]-N-(pyridin-4-ylmethyl)-1-propanamine IUPAC Name: 3-(1-methyltetrazol-5-yl)sulfanyl-N-(pyridin-4-ylmethyl)propan-1-amine Traditional Name: 3-[(1-methyltetrazol-5-yl)thio]propyl-(4-pyridylmethyl)amine Formula: C11H16N6S MolecularWeight: 264.34994

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCNCC2=CC=NC=C2

Isomeric SMILES

CN1C(=NN=N1)SCCCNCC2=CC=NC=C2

InChI

InChI=1S/C11H16N6S/c1-17-11(14-15-16-17)18-8-2-5-13-9-10-3-6-12-7-4-10/h3-4,6-7,13H,2,5,8-9H2,1H3