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

Systemtic Name: 1-[[5-[(4-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-2-propanone IUPAC Name: 1-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(p-toluidino)-1,3,4-thiadiazol-2-yl]thio]acetone Formula: C12H13N3OS2 MolecularWeight: 279.38112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3OS2/c1-8-3-5-10(6-4-8)13-11-14-15-12(18-11)17-7-9(2)16/h3-6H,7H2,1-2H3,(H,13,14)