5-methanethioyl-3-(4-phenoxyphenyl)pyrazole-1-carboxamide

Systemtic Name: 5-methanethioyl-3-(4-phenoxyphenyl)pyrazole-1-carboxamide Openeye Name: 5-methanethioyl-3-(4-phenoxyphenyl)pyrazole-1-carboxamide CAS Name: 5-methanethioyl-3-(4-phenoxyphenyl)-1-pyrazolecarboxamide IUPAC Name: 5-methanethioyl-3-(4-phenoxyphenyl)pyrazole-1-carboxamide Traditional Name: 3-(4-phenoxyphenyl)-5-thioformyl-pyrazole-1-carboxamide Formula: C17H13N3O2S MolecularWeight: 323.36902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NN(C(=C3)C=S)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=NN(C(=C3)C=S)C(=O)N

InChI

InChI=1S/C17H13N3O2S/c18-17(21)20-13(11-23)10-16(19-20)12-6-8-15(9-7-12)22-14-4-2-1-3-5-14/h1-11H,(H2,18,21)