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

Systemtic Name: N-(4-ethoxyphenyl)-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 3-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)propanamide CAS Name: N-(4-ethoxyphenyl)-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(4-ethoxyphenyl)-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-N-p-phenetyl-propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCSC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C21H23N5O2S/c1-3-14-26-20(16-9-12-22-13-10-16)24-25-21(26)29-15-11-19(27)23-17-5-7-18(8-6-17)28-4-2/h3,5-10,12-13H,1,4,11,14-15H2,2H3,(H,23,27)