3,5-bis(azanyl)-1-[2-(4-chlorophenyl)ethanoyl]-N-phenyl-pyrazole-4-carbothioamide

Systemtic Name: 3,5-bis(azanyl)-1-[2-(4-chlorophenyl)ethanoyl]-N-phenyl-pyrazole-4-carbothioamide Openeye Name: 3,5-diamino-1-[2-(4-chlorophenyl)acetyl]-N-phenyl-pyrazole-4-carbothioamide CAS Name: 3,5-diamino-1-[2-(4-chlorophenyl)-1-oxoethyl]-N-phenyl-4-pyrazolecarbothioamide IUPAC Name: 3,5-diamino-1-[2-(4-chlorophenyl)acetyl]-N-phenylpyrazole-4-carbothioamide Traditional Name: 3,5-diamino-1-[2-(4-chlorophenyl)acetyl]-N-phenyl-pyrazole-4-carbothioamide Formula: C18H16ClN5OS MolecularWeight: 385.87054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)C2=C(N(N=C2N)C(=O)CC3=CC=C(C=C3)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)C2=C(N(N=C2N)C(=O)CC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H16ClN5OS/c19-12-8-6-11(7-9-12)10-14(25)24-17(21)15(16(20)23-24)18(26)22-13-4-2-1-3-5-13/h1-9H,10,21H2,(H2,20,23)(H,22,26)