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

Systemtic Name: 4-[[5-(cyclopropylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-oxidanyl-chromen-2-one Openeye Name: 4-[[5-(cyclopropylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-hydroxy-chromen-2-one CAS Name: 4-[[[5-(cyclopropylmethylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[5-(cyclopropylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-hydroxychromen-2-one Traditional Name: 4-[[[5-(cyclopropylmethylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-hydroxy-coumarin Formula: C16H14N2O3S3 MolecularWeight: 378.48896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CSC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

C1CC1CSC2=NN=C(S2)SCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C16H14N2O3S3/c19-11-3-4-12-10(5-14(20)21-13(12)6-11)8-23-16-18-17-15(24-16)22-7-9-1-2-9/h3-6,9,19H,1-2,7-8H2