4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide

Systemtic Name: 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide Openeye Name: 4-(5-chloro-2-thienyl)-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxo-N-[[4-(1-pyrazolyl)phenyl]methyl]butanamide IUPAC Name: 4-(5-chlorothiophen-2-yl)-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-N-(4-pyrazol-1-ylbenzyl)butyramide Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)CNC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)CNC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H16ClN3O2S/c19-17-8-7-16(25-17)15(23)6-9-18(24)20-12-13-2-4-14(5-3-13)22-11-1-10-21-22/h1-5,7-8,10-11H,6,9,12H2,(H,20,24)