4-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one

Systemtic Name: 4-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 4-[[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methyl-coumarin Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4=CC=CC(=C4C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4=CC=CC(=C4C)C

InChI

InChI=1S/C21H19N3O2S2/c1-12-7-8-16-15(10-19(25)26-18(16)9-12)11-27-21-24-23-20(28-21)22-17-6-4-5-13(2)14(17)3/h4-10H,11H2,1-3H3,(H,22,23)