3-(2-chloranylprop-2-enylsulfanyl)-4-(4-ethoxyphenyl)-5-(2-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-(2-chloranylprop-2-enylsulfanyl)-4-(4-ethoxyphenyl)-5-(2-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-(2-chloroallylsulfanyl)-4-(4-ethoxyphenyl)-5-(2-methoxyphenyl)-1,2,4-triazole CAS Name: 3-(2-chloroprop-2-enylthio)-4-(4-ethoxyphenyl)-5-(2-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-(2-chloroprop-2-enylsulfanyl)-4-(4-ethoxyphenyl)-5-(2-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-(2-chloroallylthio)-5-(2-methoxyphenyl)-4-p-phenetyl-1,2,4-triazole Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=C)Cl)C3=CC=CC=C3OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=C)Cl)C3=CC=CC=C3OC

InChI

InChI=1S/C20H20ClN3O2S/c1-4-26-16-11-9-15(10-12-16)24-19(17-7-5-6-8-18(17)25-3)22-23-20(24)27-13-14(2)21/h5-12H,2,4,13H2,1,3H3