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

Systemtic Name: 7-methoxy-4-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[(5-isobutylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-methoxy-chromen-2-one CAS Name: 7-methoxy-4-[[[5-(2-methylpropylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 4-[[[5-(isobutylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-7-methoxy-coumarin Formula: C17H18N2O3S3 MolecularWeight: 394.53142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

CC(C)CSC1=NN=C(S1)SCC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C17H18N2O3S3/c1-10(2)8-23-16-18-19-17(25-16)24-9-11-6-15(20)22-14-7-12(21-3)4-5-13(11)14/h4-7,10H,8-9H2,1-3H3