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

Systemtic Name: 1-[[5-(4-pentylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[5-(4-pentylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[5-(4-pentylphenyl)-1H-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[5-(4-pentylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[5-(4-amylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetone Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C

InChI

InChI=1S/C16H21N3OS/c1-3-4-5-6-13-7-9-14(10-8-13)15-17-16(19-18-15)21-11-12(2)20/h7-10H,3-6,11H2,1-2H3,(H,17,18,19)