2-(4-bromophenyl)-4-methyl-5-[(E)-2-(phenylmethylsulfanyl)ethenyl]-1,2,3-triazole

Systemtic Name: 2-(4-bromophenyl)-4-methyl-5-[(E)-2-(phenylmethylsulfanyl)ethenyl]-1,2,3-triazole Openeye Name: 4-[(E)-2-benzylsulfanylvinyl]-2-(4-bromophenyl)-5-methyl-triazole CAS Name: 2-(4-bromophenyl)-4-methyl-5-[(E)-2-(phenylmethylthio)ethenyl]triazole IUPAC Name: 4-[(E)-2-benzylsulfanylethenyl]-2-(4-bromophenyl)-5-methyltriazole Traditional Name: 4-[(E)-2-(benzylthio)vinyl]-2-(4-bromophenyl)-5-methyl-triazole Formula: C18H16BrN3S MolecularWeight: 386.30874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C=CSCC2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN(N=C1/C=C/SCC2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3S/c1-14-18(11-12-23-13-15-5-3-2-4-6-15)21-22(20-14)17-9-7-16(19)8-10-17/h2-12H,13H2,1H3/b12-11+