(1-methyl-3-phenyl-pyrazol-4-yl)methanethiol

Systemtic Name: (1-methyl-3-phenyl-pyrazol-4-yl)methanethiol Openeye Name: (1-methyl-3-phenyl-pyrazol-4-yl)methanethiol CAS Name: (1-methyl-3-phenyl-4-pyrazolyl)methanethiol IUPAC Name: (1-methyl-3-phenylpyrazol-4-yl)methanethiol Traditional Name: (1-methyl-3-phenyl-pyrazol-4-yl)methanethiol Formula: C11H12N2S MolecularWeight: 204.29138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)CS

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)CS

InChI

InChI=1S/C11H12N2S/c1-13-7-10(8-14)11(12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3