2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanylethyl-[(3-pyrimidin-2-yloxyphenyl)methyl]ammonium CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]ethyl-[[3-(2-pyrimidinyloxy)phenyl]methyl]ammonium IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanylethyl-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]ethyl-[3-(2-pyrimidyloxy)benzyl]ammonium Formula: C20H20N7OS+ MolecularWeight: 406.4841

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC[NH2+]CC3=CC(=CC=C3)OC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC[NH2+]CC3=CC(=CC=C3)OC4=NC=CC=N4

InChI

InChI=1S/C20H19N7OS/c1-2-7-17(8-3-1)27-20(24-25-26-27)29-13-12-21-15-16-6-4-9-18(14-16)28-19-22-10-5-11-23-19/h1-11,14,21H,12-13,15H2/p+1