3-[(5-chloranyl-2-propoxy-phenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[(5-chloranyl-2-propoxy-phenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(5-chloro-2-propoxy-phenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole CAS Name: 3-[(5-chloro-2-propoxyphenyl)methylthio]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(5-chloro-2-propoxyphenyl)methylsulfanyl]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(5-chloro-2-propoxy-benzyl)thio]-4-phenyl-5-(4-propoxyphenyl)-1,2,4-triazole Formula: C27H28ClN3O2S MolecularWeight: 494.04812

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC(=C4)Cl)OCCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC(=C4)Cl)OCCC

InChI

InChI=1S/C27H28ClN3O2S/c1-3-16-32-24-13-10-20(11-14-24)26-29-30-27(31(26)23-8-6-5-7-9-23)34-19-21-18-22(28)12-15-25(21)33-17-4-2/h5-15,18H,3-4,16-17,19H2,1-2H3