4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C14H17N3OS MolecularWeight: 275.36928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCC(=O)C

InChI

InChI=1S/C14H17N3OS/c1-3-11-4-6-12(7-5-11)13-15-14(17-16-13)19-9-8-10(2)18/h4-7H,3,8-9H2,1-2H3,(H,15,16,17)