N-[3-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]phenyl]-2-pyrazol-1-yl-propanamide

Systemtic Name: N-[3-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]phenyl]-2-pyrazol-1-yl-propanamide Openeye Name: N-[3-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-pyrazol-1-yl-propanamide CAS Name: N-[3-[[2-[(4-chlorophenyl)methylthio]-1-oxoethyl]amino]phenyl]-2-(1-pyrazolyl)propanamide IUPAC Name: N-[3-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide Traditional Name: N-[3-[[2-[(4-chlorobenzyl)thio]acetyl]amino]phenyl]-2-pyrazol-1-yl-propionamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CSCC2=CC=C(C=C2)Cl)N3C=CC=N3

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)NC(=O)CSCC2=CC=C(C=C2)Cl)N3C=CC=N3

InChI

InChI=1S/C21H21ClN4O2S/c1-15(26-11-3-10-23-26)21(28)25-19-5-2-4-18(12-19)24-20(27)14-29-13-16-6-8-17(22)9-7-16/h2-12,15H,13-14H2,1H3,(H,24,27)(H,25,28)