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

Systemtic Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)propan-1-one Openeye Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-methylphenyl)-1-propanone IUPAC Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methylphenyl)propan-1-one Traditional Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(p-tolyl)propan-1-one Formula: C16H21N3OS2 MolecularWeight: 335.48744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)SC(C)C(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCNC1=NN=C(S1)SC(C)C(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H21N3OS2/c1-4-5-10-17-15-18-19-16(22-15)21-12(3)14(20)13-8-6-11(2)7-9-13/h6-9,12H,4-5,10H2,1-3H3,(H,17,18)