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

Systemtic Name: N-(3-bromophenyl)-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-(3-bromophenyl)acetamide CAS Name: N-(3-bromophenyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-bromophenyl)-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-(3-bromophenyl)acetamide Formula: C18H16BrN5OS MolecularWeight: 430.32154

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)C3=CN=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)C3=CN=CC=C3

InChI

InChI=1S/C18H16BrN5OS/c1-2-9-24-17(13-5-4-8-20-11-13)22-23-18(24)26-12-16(25)21-15-7-3-6-14(19)10-15/h2-8,10-11H,1,9,12H2,(H,21,25)