1-methyl-5-[(1-phenylpyrazol-4-yl)methylsulfanyl]-1,2,3,4-tetrazole

Systemtic Name: 1-methyl-5-[(1-phenylpyrazol-4-yl)methylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-methyl-5-[(1-phenylpyrazol-4-yl)methylsulfanyl]tetrazole CAS Name: 1-methyl-5-[(1-phenyl-4-pyrazolyl)methylthio]tetrazole IUPAC Name: 1-methyl-5-[(1-phenylpyrazol-4-yl)methylsulfanyl]tetrazole Traditional Name: 1-methyl-5-[(1-phenylpyrazol-4-yl)methylthio]tetrazole Formula: C12H12N6S MolecularWeight: 272.32888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=N1)SCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C12H12N6S/c1-17-12(14-15-16-17)19-9-10-7-13-18(8-10)11-5-3-2-4-6-11/h2-8H,9H2,1H3