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

Systemtic Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)propan-1-one Openeye Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)-1-propanone IUPAC Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)propan-1-one Traditional Name: 2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(p-tolyl)propan-1-one Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SC(C)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H21N3OS/c1-4-15-7-11-17(12-8-15)19-21-20(23-22-19)25-14(3)18(24)16-9-5-13(2)6-10-16/h5-12,14H,4H2,1-3H3,(H,21,22,23)