N,N-diethyl-5-methanoyl-3-[2-(phenylmethyl)phenyl]sulfanyl-pyrazole-1-carboxamide

Systemtic Name: N,N-diethyl-5-methanoyl-3-[2-(phenylmethyl)phenyl]sulfanyl-pyrazole-1-carboxamide Openeye Name: 3-(2-benzylphenyl)sulfanyl-N,N-diethyl-5-formyl-pyrazole-1-carboxamide CAS Name: N,N-diethyl-5-formyl-3-[[2-(phenylmethyl)phenyl]thio]-1-pyrazolecarboxamide IUPAC Name: 3-(2-benzylphenyl)sulfanyl-N,N-diethyl-5-formylpyrazole-1-carboxamide Traditional Name: 3-[(2-benzylphenyl)thio]-N,N-diethyl-5-formyl-pyrazole-1-carboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C(=CC(=N1)SC2=CC=CC=C2CC3=CC=CC=C3)C=O

Isomeric SMILES

CCN(CC)C(=O)N1C(=CC(=N1)SC2=CC=CC=C2CC3=CC=CC=C3)C=O

InChI

InChI=1S/C22H23N3O2S/c1-3-24(4-2)22(27)25-19(16-26)15-21(23-25)28-20-13-9-8-12-18(20)14-17-10-6-5-7-11-17/h5-13,15-16H,3-4,14H2,1-2H3