2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl-(pyridin-4-ylmethyl)azanium Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanylethyl-(4-pyridylmethyl)ammonium CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]ethyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanylethyl-(pyridin-4-ylmethyl)azanium Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]ethyl-(4-pyridylmethyl)ammonium Formula: C15H17N6S+ MolecularWeight: 313.40068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC[NH2+]CC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC[NH2+]CC3=CC=NC=C3

InChI

InChI=1S/C15H16N6S/c1-2-4-14(5-3-1)21-15(18-19-20-21)22-11-10-17-12-13-6-8-16-9-7-13/h1-9,17H,10-12H2/p+1