N-(2-hydroxyethyl)-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(2-hydroxyethyl)-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: 4-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-(2-hydroxyethyl)benzamide CAS Name: N-(2-hydroxyethyl)-4-[[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: N-(2-hydroxyethyl)-4-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: 4-[[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-(2-hydroxyethyl)benzamide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NCCO)C3=CC=NC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NCCO)C3=CC=NC=C3

InChI

InChI=1S/C20H21N5O2S/c1-2-12-25-18(16-7-9-21-10-8-16)23-24-20(25)28-14-15-3-5-17(6-4-15)19(27)22-11-13-26/h2-10,26H,1,11-14H2,(H,22,27)