2-[[5-(4-methylhexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-(4-methylhexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-(4-methylhexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-(4-methylhexylamino)-1,3,4-thiadiazol-2-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-(4-methylhexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-(4-methylhexylamino)-1,3,4-thiadiazol-2-yl]thio]-1-phenyl-ethanone Formula: C17H23N3OS2 MolecularWeight: 349.51402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCNC1=NN=C(S1)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(C)CCCNC1=NN=C(S1)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H23N3OS2/c1-3-13(2)8-7-11-18-16-19-20-17(23-16)22-12-15(21)14-9-5-4-6-10-14/h4-6,9-10,13H,3,7-8,11-12H2,1-2H3,(H,18,19)