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

Systemtic Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-(2-methylallylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-(2-methylprop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-5-(2-methylallylthio)-4-p-phenetyl-1,2,4-triazole Formula: C20H20BrN3OS MolecularWeight: 430.3613

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=C)C)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=C)C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrN3OS/c1-4-25-18-11-9-17(10-12-18)24-19(15-5-7-16(21)8-6-15)22-23-20(24)26-13-14(2)3/h5-12H,2,4,13H2,1,3H3