3-pyrazol-1-ylbenzenecarbothioic S-acid

Systemtic Name: 3-pyrazol-1-ylbenzenecarbothioic S-acid Openeye Name: 3-pyrazol-1-ylbenzenecarbothioic S-acid CAS Name: 3-(1-pyrazolyl)benzenecarbothioic S-acid IUPAC Name: 3-pyrazol-1-ylbenzenecarbothioic S-acid Traditional Name: 3-pyrazol-1-ylthiobenzoic acid Formula: C10H8N2OS MolecularWeight: 204.24832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=CC=N2)C(=O)S

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CC=N2)C(=O)S

InChI

InChI=1S/C10H8N2OS/c13-10(14)8-3-1-4-9(7-8)12-6-2-5-11-12/h1-7H,(H,13,14)