3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole Formula: C17H16BrN3OS2 MolecularWeight: 422.36244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CC3)C4=CC=CS4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CC3)C4=CC=CS4)Br

InChI

InChI=1S/C17H16BrN3OS2/c1-22-14-7-4-11(9-13(14)18)10-24-17-20-19-16(15-3-2-8-23-15)21(17)12-5-6-12/h2-4,7-9,12H,5-6,10H2,1H3