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

Systemtic Name: 1-(4-ethylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(4-ethylphenyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(4-ethylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-ethylphenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(4-ethylphenyl)-2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC)C3=CC=NC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC)C3=CC=NC=C3

InChI

InChI=1S/C20H22N4OS/c1-4-15-6-8-16(9-7-15)18(25)14(3)26-20-23-22-19(24(20)5-2)17-10-12-21-13-11-17/h6-14H,4-5H2,1-3H3