4-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]thio]-2-butanone IUPAC Name: 4-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(m-anisidino)-1,3,4-thiadiazol-2-yl]thio]butan-2-one Formula: C13H15N3O2S2 MolecularWeight: 309.4071

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NN=C(S1)NC2=CC(=CC=C2)OC

Isomeric SMILES

CC(=O)CCSC1=NN=C(S1)NC2=CC(=CC=C2)OC

InChI

InChI=1S/C13H15N3O2S2/c1-9(17)6-7-19-13-16-15-12(20-13)14-10-4-3-5-11(8-10)18-2/h3-5,8H,6-7H2,1-2H3,(H,14,15)