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

Systemtic Name: 4-[[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-2-butanone IUPAC Name: 4-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(p-toluidino)-1,3,4-thiadiazol-2-yl]thio]butan-2-one Formula: C13H15N3OS2 MolecularWeight: 293.4077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN=C(S2)SCCC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN=C(S2)SCCC(=O)C

InChI

InChI=1S/C13H15N3OS2/c1-9-3-5-11(6-4-9)14-12-15-16-13(19-12)18-8-7-10(2)17/h3-6H,7-8H2,1-2H3,(H,14,15)