methyl-[(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: methyl-[(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: methyl-[[5-oxo-4-(2-thienyl)tetrazol-1-yl]methyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: methyl-[(5-oxo-4-thiophen-2-yl-1-tetrazolyl)methyl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: methyl-[(5-oxo-4-thiophen-2-yltetrazol-1-yl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [5-keto-4-(2-thienyl)tetrazol-1-yl]methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C17H18N7OS+ MolecularWeight: 368.43612

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CN3C(=O)N(N=N3)C4=CC=CS4

Isomeric SMILES

C[NH+](CC1=CN(N=C1)C2=CC=CC=C2)CN3C(=O)N(N=N3)C4=CC=CS4

InChI

InChI=1S/C17H17N7OS/c1-21(11-14-10-18-22(12-14)15-6-3-2-4-7-15)13-23-17(25)24(20-19-23)16-8-5-9-26-16/h2-10,12H,11,13H2,1H3/p+1