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

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-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-(4-bromo-2-chloro-phenyl)acetamide CAS Name: N-(4-bromo-2-chlorophenyl)-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-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-(4-bromo-2-chloro-phenyl)acetamide Formula: C18H15BrClN5OS MolecularWeight: 464.7666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrClN5OS/c1-2-8-25-17(12-4-3-7-21-10-12)23-24-18(25)27-11-16(26)22-15-6-5-13(19)9-14(15)20/h2-7,9-10H,1,8,11H2,(H,22,26)