3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-isothiocyanato-prop-2-en-1-one

Systemtic Name: 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-isothiocyanato-prop-2-en-1-one Openeye Name: 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl isothiocyanate CAS Name: 3-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-1-isothiocyanato-2-propen-1-one IUPAC Name: 3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl isothiocyanate Traditional Name: 3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-1-isothiocyanato-prop-2-en-1-one Formula: C19H12ClN3OS MolecularWeight: 365.83608

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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)C=CC(=O)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C=CC(=O)N=C=S

InChI

InChI=1S/C19H12ClN3OS/c20-16-9-6-14(7-10-16)19-15(8-11-18(24)21-13-25)12-23(22-19)17-4-2-1-3-5-17/h1-12H