N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4S)-thiochroman-4-yl]acetamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[(4S)-thiochroman-4-yl]acetamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCSC3=CC=CC=C23)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N[C@H]2CCSC3=CC=CC=C23)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS2/c1-2-25-20(15-8-4-3-5-9-15)23-24-21(25)28-14-19(26)22-17-12-13-27-18-11-7-6-10-16(17)18/h3-11,17H,2,12-14H2,1H3,(H,22,26)/t17-/m0/s1