3-(1,3-diphenylpyrazol-4-yl)-1-isothiocyanato-prop-2-en-1-one

Systemtic Name: 3-(1,3-diphenylpyrazol-4-yl)-1-isothiocyanato-prop-2-en-1-one Openeye Name: 3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl isothiocyanate CAS Name: 3-(1,3-diphenyl-4-pyrazolyl)-1-isothiocyanato-2-propen-1-one IUPAC Name: 3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl isothiocyanate Traditional Name: 3-(1,3-diphenylpyrazol-4-yl)-1-isothiocyanato-prop-2-en-1-one Formula: C19H13N3OS MolecularWeight: 331.39102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)N=C=S)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)N=C=S)C3=CC=CC=C3

InChI

InChI=1S/C19H13N3OS/c23-18(20-14-24)12-11-16-13-22(17-9-5-2-6-10-17)21-19(16)15-7-3-1-4-8-15/h1-13H