4-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C24H25N3O2S2 MolecularWeight: 451.6042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN=C(S2)SCC3=CC(=O)OC4=CC(=C(C=C34)C(C)C)C)C

InChI

InChI=1S/C24H25N3O2S2/c1-13(2)18-11-19-17(10-22(28)29-21(19)9-15(18)4)12-30-24-27-26-23(31-24)25-20-8-6-7-14(3)16(20)5/h6-11,13H,12H2,1-5H3,(H,25,26)