3-(4-bromophenyl)-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-bromophenyl)-4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(4-bromophenyl)-4-phenyl-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-4-phenyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-bromophenyl)-4-phenyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-bromophenyl)-4-phenyl-1,2,4-triazole Formula: C21H16BrN3S MolecularWeight: 422.34084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3S/c22-18-13-11-17(12-14-18)20-23-24-21(25(20)19-9-5-2-6-10-19)26-15-16-7-3-1-4-8-16/h1-14H,15H2