3-phenyl-1-(phenylmethyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-4-carboxamide

Systemtic Name: 3-phenyl-1-(phenylmethyl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-phenyl-N-[2-(2-thienylmethylsulfanyl)ethyl]pyrazole-4-carboxamide CAS Name: 3-phenyl-1-(phenylmethyl)-N-[2-(thiophen-2-ylmethylthio)ethyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-phenyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-phenyl-N-[2-(2-thenylthio)ethyl]pyrazole-4-carboxamide Formula: C24H23N3OS2 MolecularWeight: 433.58892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)C(=O)NCCSCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=CC=C3)C(=O)NCCSCC4=CC=CS4

InChI

InChI=1S/C24H23N3OS2/c28-24(25-13-15-29-18-21-12-7-14-30-21)22-17-27(16-19-8-3-1-4-9-19)26-23(22)20-10-5-2-6-11-20/h1-12,14,17H,13,15-16,18H2,(H,25,28)