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

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-ethyl-5-(2-thienyl)-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-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-[(4S)-thiochroman-4-yl]acetamide Formula: C19H20N4OS3 MolecularWeight: 416.5833

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCSC3=CC=CC=C23)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N[C@H]2CCSC3=CC=CC=C23)C4=CC=CS4

InChI

InChI=1S/C19H20N4OS3/c1-2-23-18(16-8-5-10-25-16)21-22-19(23)27-12-17(24)20-14-9-11-26-15-7-4-3-6-13(14)15/h3-8,10,14H,2,9,11-12H2,1H3,(H,20,24)/t14-/m0/s1