3-[(4-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4-bromophenyl)methylthio]-4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4-bromophenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4-bromobenzyl)thio]-5-(3-methoxyphenyl)-4-p-phenetyl-1,2,4-triazole Formula: C24H22BrN3O2S MolecularWeight: 496.41938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC(=CC=C4)OC

InChI

InChI=1S/C24H22BrN3O2S/c1-3-30-21-13-11-20(12-14-21)28-23(18-5-4-6-22(15-18)29-2)26-27-24(28)31-16-17-7-9-19(25)10-8-17/h4-15H,3,16H2,1-2H3