N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(4S)-chroman-4-yl]-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(4S)-chroman-4-yl]-3-(2-thienyl)pyrazole-4-carboxamide Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1NC(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C24H21N3O2S/c28-24(25-20-12-13-29-21-10-5-4-9-18(20)21)19-16-27(15-17-7-2-1-3-8-17)26-23(19)22-11-6-14-30-22/h1-11,14,16,20H,12-13,15H2,(H,25,28)/t20-/m0/s1