3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-5-cyclopropyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-5-cyclopropyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-cyclopropyl-4-phenyl-1,2,4-triazole Formula: C18H16BrN3S MolecularWeight: 386.30874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C18H16BrN3S/c19-15-10-6-13(7-11-15)12-23-18-21-20-17(14-8-9-14)22(18)16-4-2-1-3-5-16/h1-7,10-11,14H,8-9,12H2