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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2CC=C)C3=CC=NC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2CC=C)C3=CC=NC=C3

InChI

InChI=1S/C19H18BrN5OS/c1-3-12-25-17(14-8-10-21-11-9-14)23-24-19(25)27-13(2)18(26)22-16-6-4-15(20)5-7-16/h3-11,13H,1,12H2,2H3,(H,22,26)