5-(5-chloranyl-2-methoxy-phenyl)-3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-(5-chloranyl-2-methoxy-phenyl)-3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazole Openeye Name: 5-(5-chloro-2-methoxy-phenyl)-3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazole CAS Name: 5-(5-chloro-2-methoxyphenyl)-3-(3-phenylpropylthio)-1H-1,2,4-triazole IUPAC Name: 5-(5-chloro-2-methoxyphenyl)-3-(3-phenylpropylsulfanyl)-1H-1,2,4-triazole Traditional Name: 5-(5-chloro-2-methoxy-phenyl)-3-(3-phenylpropylthio)-1H-1,2,4-triazole Formula: C18H18ClN3OS MolecularWeight: 359.87302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCCCC3=CC=CC=C3

InChI

InChI=1S/C18H18ClN3OS/c1-23-16-10-9-14(19)12-15(16)17-20-18(22-21-17)24-11-5-8-13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,20,21,22)