2-(2-fluorophenyl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(2-fluorophenyl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(2-fluorophenyl)sulfonyl-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(2-fluorophenyl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-(2-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H19FN4O3S3 MolecularWeight: 490.593963

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C21H19FN4O3S3/c1-2-11-30-21-25-24-20(31-21)23-19(27)17-12-14-7-3-4-8-15(14)13-26(17)32(28,29)18-10-6-5-9-16(18)22/h2-10,17H,1,11-13H2,(H,23,24,27)