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

Systemtic Name: N-(2-bromophenyl)-3-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: 3-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromophenyl)propanamide CAS Name: N-(2-bromophenyl)-3-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-bromophenyl)-3-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: 3-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-bromophenyl)propionamide Formula: C19H18BrN5OS MolecularWeight: 444.34812

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2Br)C3=CN=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCCC(=O)NC2=CC=CC=C2Br)C3=CN=CC=C3

InChI

InChI=1S/C19H18BrN5OS/c1-2-11-25-18(14-6-5-10-21-13-14)23-24-19(25)27-12-9-17(26)22-16-8-4-3-7-15(16)20/h2-8,10,13H,1,9,11-12H2,(H,22,26)