3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-(3-phenylpropylthio)-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-(3-phenylpropylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-5-(3-phenylpropylthio)-4-p-phenetyl-1,2,4-triazole Formula: C25H24BrN3OS MolecularWeight: 494.44656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCCC3=CC=CC=C3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCCC3=CC=CC=C3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H24BrN3OS/c1-2-30-23-16-14-22(15-17-23)29-24(20-10-12-21(26)13-11-20)27-28-25(29)31-18-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-17H,2,6,9,18H2,1H3