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

Systemtic Name: 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium Openeye Name: 3-(1-phenyltetrazol-5-yl)sulfanylpropyl-[(3-pyrimidin-2-yloxyphenyl)methyl]ammonium CAS Name: 3-[(1-phenyl-5-tetrazolyl)thio]propyl-[[3-(2-pyrimidinyloxy)phenyl]methyl]ammonium IUPAC Name: 3-(1-phenyltetrazol-5-yl)sulfanylpropyl-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium Traditional Name: 3-[(1-phenyltetrazol-5-yl)thio]propyl-[3-(2-pyrimidyloxy)benzyl]ammonium Formula: C21H22N7OS+ MolecularWeight: 420.51068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N7OS/c1-2-8-18(9-3-1)28-21(25-26-27-28)30-14-6-11-22-16-17-7-4-10-19(15-17)29-20-23-12-5-13-24-20/h1-5,7-10,12-13,15,22H,6,11,14,16H2/p+1