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

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)thio]-4-cyclopropyl-5-(2-thenyl)-1,2,4-triazole Formula: C18H18BrN3OS2 MolecularWeight: 436.38902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CC3)CC4=CC=CS4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2C3CC3)CC4=CC=CS4)Br

InChI

InChI=1S/C18H18BrN3OS2/c1-23-16-7-4-12(9-15(16)19)11-25-18-21-20-17(22(18)13-5-6-13)10-14-3-2-8-24-14/h2-4,7-9,13H,5-6,10-11H2,1H3