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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3OS2/c1-8-5-4-6-11(7-8)14-12-15-16-13(19-12)18-10(3)9(2)17/h4-7,10H,1-3H3,(H,14,15)