N-(4-chlorophenyl)-3-oxidanylidene-2-phenyl-pyrazolidine-1-carbothioamide

Systemtic Name: N-(4-chlorophenyl)-3-oxidanylidene-2-phenyl-pyrazolidine-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-3-oxo-2-phenyl-pyrazolidine-1-carbothioamide CAS Name: N-(4-chlorophenyl)-3-oxo-2-phenyl-1-pyrazolidinecarbothioamide IUPAC Name: N-(4-chlorophenyl)-3-oxo-2-phenylpyrazolidine-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-3-keto-2-phenyl-pyrazolidine-1-carbothioamide Formula: C16H14ClN3OS MolecularWeight: 331.81986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1=O)C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(N(C1=O)C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN3OS/c17-12-6-8-13(9-7-12)18-16(22)19-11-10-15(21)20(19)14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,22)