3-[(4-bromophenyl)methylsulfanyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[(4-bromophenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-bromophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(4-bromobenzyl)thio]-5-(2-thienyl)-1,2,4-triazole Formula: C20H16BrN3S2 MolecularWeight: 442.39514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CS4

InChI

InChI=1S/C20H16BrN3S2/c21-17-10-8-16(9-11-17)14-26-20-23-22-19(18-7-4-12-25-18)24(20)13-15-5-2-1-3-6-15/h1-12H,13-14H2