2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-tert-butylphenyl)ethanone

Systemtic Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-tert-butylphenyl)ethanone Openeye Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-tert-butylphenyl)ethanone CAS Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-tert-butylphenyl)ethanone IUPAC Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-tert-butylphenyl)ethanone Traditional Name: 2-[[5-(butylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-tert-butylphenyl)ethanone Formula: C18H25N3OS2 MolecularWeight: 363.5406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3OS2/c1-5-6-11-19-16-20-21-17(24-16)23-12-15(22)13-7-9-14(10-8-13)18(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,19,20)