[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methanethiol

Systemtic Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methanethiol Openeye Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methanethiol CAS Name: [3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methanethiol IUPAC Name: [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methanethiol Traditional Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methanethiol Formula: C16H13ClN2S MolecularWeight: 300.80582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CS

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CS

InChI

InChI=1S/C16H13ClN2S/c17-14-8-6-12(7-9-14)16-13(11-20)10-19(18-16)15-4-2-1-3-5-15/h1-10,20H,11H2