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

Systemtic Name: N-phenethyl-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: N-phenethyl-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-phenethyl-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C20H21N5OS/c1-2-13-25-19(17-9-6-11-21-14-17)23-24-20(25)27-15-18(26)22-12-10-16-7-4-3-5-8-16/h2-9,11,14H,1,10,12-13,15H2,(H,22,26)