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

Systemtic Name: 4-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one Openeye Name: 4-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-chromen-2-one CAS Name: 4-[[[5-[(4-methoxyphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methylchromen-2-one Traditional Name: 7-methyl-4-[[[5-(p-anisylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C21H18N2O3S3 MolecularWeight: 442.57422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H18N2O3S3/c1-13-3-8-17-15(10-19(24)26-18(17)9-13)12-28-21-23-22-20(29-21)27-11-14-4-6-16(25-2)7-5-14/h3-10H,11-12H2,1-2H3