3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-benzyl-5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(3-bromo-4-methoxyphenyl)methylthio]-5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-benzyl-5-[(3-bromo-4-methoxy-benzyl)thio]-1,2,4-triazole Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC=C)CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NN=C(N2CC=C)CC3=CC=CC=C3)Br

InChI

InChI=1S/C20H20BrN3OS/c1-3-11-24-19(13-15-7-5-4-6-8-15)22-23-20(24)26-14-16-9-10-18(25-2)17(21)12-16/h3-10,12H,1,11,13-14H2,2H3