N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C16H20N4O3S3 MolecularWeight: 412.55

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)CC

InChI

InChI=1S/C16H20N4O3S3/c1-3-24-16-19-18-15(25-16)17-14(21)13-9-11-7-5-6-8-12(11)10-20(13)26(22,23)4-2/h5-8,13H,3-4,9-10H2,1-2H3,(H,17,18,21)