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

Systemtic Name: 3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propyl-[(5-phenylfuran-2-yl)methyl]azanium Openeye Name: 3-(1-methyltetrazol-5-yl)sulfanylpropyl-[(5-phenyl-2-furyl)methyl]ammonium CAS Name: 3-[(1-methyl-5-tetrazolyl)thio]propyl-[(5-phenyl-2-furanyl)methyl]ammonium IUPAC Name: 3-(1-methyltetrazol-5-yl)sulfanylpropyl-[(5-phenylfuran-2-yl)methyl]azanium Traditional Name: 3-[(1-methyltetrazol-5-yl)thio]propyl-[(5-phenyl-2-furyl)methyl]ammonium Formula: C16H20N5OS+ MolecularWeight: 330.4279

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCC[NH2+]CC2=CC=C(O2)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=N1)SCCC[NH2+]CC2=CC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C16H19N5OS/c1-21-16(18-19-20-21)23-11-5-10-17-12-14-8-9-15(22-14)13-6-3-2-4-7-13/h2-4,6-9,17H,5,10-12H2,1H3/p+1