5-(1-methyl-1,2,3,4-tetrazol-1-ium-1-yl)-4-(phenylmethyl)sulfonyl-2-thiophen-2-yl-pyrimidine

Systemtic Name: 5-(1-methyl-1,2,3,4-tetrazol-1-ium-1-yl)-4-(phenylmethyl)sulfonyl-2-thiophen-2-yl-pyrimidine Openeye Name: 4-benzylsulfonyl-5-(1-methyltetrazol-1-ium-1-yl)-2-(2-thienyl)pyrimidine CAS Name: 5-(1-methyl-1-tetrazol-1-iumyl)-4-(phenylmethyl)sulfonyl-2-thiophen-2-ylpyrimidine IUPAC Name: 4-benzylsulfonyl-5-(1-methyltetrazol-1-ium-1-yl)-2-thiophen-2-ylpyrimidine Traditional Name: 4-benzylsulfonyl-5-(1-methyltetrazol-1-ium-1-yl)-2-(2-thienyl)pyrimidine Formula: C17H15N6O2S2+ MolecularWeight: 399.47

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=NN=N1)C2=CN=C(N=C2S(=O)(=O)CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C[N+]1(C=NN=N1)C2=CN=C(N=C2S(=O)(=O)CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C17H15N6O2S2/c1-23(12-19-21-22-23)14-10-18-16(15-8-5-9-26-15)20-17(14)27(24,25)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3/q+1