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

Systemtic Name: 2-[[5-(phenylazanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-yl-ethanamide Openeye Name: 2-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridyl)acetamide CAS Name: 2-[[5-(anilinomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[[5-(anilinomethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-2-ylacetamide Traditional Name: 2-[[4-allyl-5-(anilinomethyl)-1,2,4-triazol-3-yl]thio]-N-(2-pyridyl)acetamide Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=N2)CNC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC=CC=N2)CNC3=CC=CC=C3

InChI

InChI=1S/C19H20N6OS/c1-2-12-25-17(13-21-15-8-4-3-5-9-15)23-24-19(25)27-14-18(26)22-16-10-6-7-11-20-16/h2-11,21H,1,12-14H2,(H,20,22,26)