1-(4-ethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(4-ethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)propan-1-one CAS Name: 1-(4-ethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(4-ethoxyphenyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-p-phenetyl-propan-1-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C21H22N4O2S/c1-4-14-25-20(17-10-12-22-13-11-17)23-24-21(25)28-15(3)19(26)16-6-8-18(9-7-16)27-5-2/h4,6-13,15H,1,5,14H2,2-3H3