7-oxidanyl-4-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-oxidanyl-4-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-hydroxy-4-[[5-[(4-isopropylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-hydroxy-4-[[[5-[(4-propan-2-ylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[[5-[(4-isopropylbenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C22H20N2O3S3 MolecularWeight: 456.6008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C22H20N2O3S3/c1-13(2)15-5-3-14(4-6-15)11-28-21-23-24-22(30-21)29-12-16-9-20(26)27-19-10-17(25)7-8-18(16)19/h3-10,13,25H,11-12H2,1-2H3