3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Openeye Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazole Formula: C23H18BrN3O3S MolecularWeight: 496.37632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C23H18BrN3O3S/c1-28-18-9-7-15(8-10-18)22-25-26-23(27(22)17-5-3-2-4-6-17)31-13-16-11-20-21(12-19(16)24)30-14-29-20/h2-12H,13-14H2,1H3