3-[5-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[5-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[5-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[5-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[5-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[5-[(2-bromo-4,5-dimethoxy-benzyl)thio]-4-cyclopropyl-1,2,4-triazol-3-yl]pyridine Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4)Br)OC

InChI

InChI=1S/C19H19BrN4O2S/c1-25-16-8-13(15(20)9-17(16)26-2)11-27-19-23-22-18(24(19)14-5-6-14)12-4-3-7-21-10-12/h3-4,7-10,14H,5-6,11H2,1-2H3