3-[[5-[(2-ethyl-6-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-5-methyl-oxolan-2-one

Systemtic Name: 3-[[5-[(2-ethyl-6-methyl-phenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]-5-methyl-oxolan-2-one Openeye Name: 3-[[5-(2-ethyl-6-methyl-anilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-methyl-tetrahydrofuran-2-one CAS Name: 3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-5-methyl-2-oxolanone IUPAC Name: 3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-5-methyloxolan-2-one Traditional Name: 3-[[5-(2-ethyl-6-methyl-anilino)-1,3,4-thiadiazol-2-yl]thio]-5-methyl-tetrahydrofuran-2-one Formula: C16H19N3O2S2 MolecularWeight: 349.47096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC2=NN=C(S2)SC3CC(OC3=O)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC2=NN=C(S2)SC3CC(OC3=O)C)C

InChI

InChI=1S/C16H19N3O2S2/c1-4-11-7-5-6-9(2)13(11)17-15-18-19-16(23-15)22-12-8-10(3)21-14(12)20/h5-7,10,12H,4,8H2,1-3H3,(H,17,18)