8-methyl-N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: 8-methyl-N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-chromene-2-carboxamide Openeye Name: 8-methyl-N-[5-(o-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-oxo-chromene-2-carboxamide CAS Name: 8-methyl-N-[5-[(2-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: 8-methyl-N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxochromene-2-carboxamide Traditional Name: 4-keto-8-methyl-N-[5-[(2-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]chromene-2-carboxamide Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC(=O)C4=C(O3)C(=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC(=O)C4=C(O3)C(=CC=C4)C

InChI

InChI=1S/C21H17N3O3S2/c1-12-6-3-4-8-14(12)11-28-21-24-23-20(29-21)22-19(26)17-10-16(25)15-9-5-7-13(2)18(15)27-17/h3-10H,11H2,1-2H3,(H,22,23,26)