5-(4-methoxyphenyl)-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-(4-methoxyphenyl)-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-(4-methoxyphenyl)-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-(4-methoxyphenyl)-3-(3-phenoxypropylthio)-1H-1,2,4-triazole IUPAC Name: 5-(4-methoxyphenyl)-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-(4-methoxyphenyl)-3-(3-phenoxypropylthio)-1H-1,2,4-triazole Formula: C18H19N3O2S MolecularWeight: 341.42736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCCCOC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCCCOC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c1-22-15-10-8-14(9-11-15)17-19-18(21-20-17)24-13-5-12-23-16-6-3-2-4-7-16/h2-4,6-11H,5,12-13H2,1H3,(H,19,20,21)