N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(6-chlorothiochroman-4-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(6-chlorothiochroman-4-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H21ClN4OS2 MolecularWeight: 445.00064

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCSC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2CCSC3=C2C=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN4OS2/c1-2-26-20(14-6-4-3-5-7-14)24-25-21(26)29-13-19(27)23-17-10-11-28-18-9-8-15(22)12-16(17)18/h3-9,12,17H,2,10-11,13H2,1H3,(H,23,27)