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

Systemtic Name: 2-[[5-[(2,4-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexan-1-one Openeye Name: 2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexanone CAS Name: 2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-cyclohexanone IUPAC Name: 2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexan-1-one Traditional Name: 2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]cyclohexanone Formula: C16H19N3OS2 MolecularWeight: 333.47156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NN=C(S2)SC3CCCCC3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NN=C(S2)SC3CCCCC3=O)C

InChI

InChI=1S/C16H19N3OS2/c1-10-7-8-12(11(2)9-10)17-15-18-19-16(22-15)21-14-6-4-3-5-13(14)20/h7-9,14H,3-6H2,1-2H3,(H,17,18)