N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: N-[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: N-[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C20H16ClN3O3S2 MolecularWeight: 445.94234

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN3O3S2/c1-20(10-13-4-2-3-5-15(13)16(25)27-20)17(26)22-18-23-24-19(29-18)28-11-12-6-8-14(21)9-7-12/h2-9H,10-11H2,1H3,(H,22,23,26)