2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-hexylphenyl)ethanone

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-hexylphenyl)ethanone Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-hexylphenyl)ethanone CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(4-hexylphenyl)ethanone IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-hexylphenyl)ethanone Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-(4-hexylphenyl)ethanone Formula: C16H21N3OS2 MolecularWeight: 335.48744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)N

InChI

InChI=1S/C16H21N3OS2/c1-2-3-4-5-6-12-7-9-13(10-8-12)14(20)11-21-16-19-18-15(17)22-16/h7-10H,2-6,11H2,1H3,(H2,17,18)