3-[(3-methoxyphenyl)methylsulfanyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(3-methoxyphenyl)methylthio]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-[(3-methoxyphenyl)methylsulfanyl]-4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-(m-anisylthio)-4-phenethyl-5-(2-thenyl)-1,2,4-triazole Formula: C23H23N3OS2 MolecularWeight: 421.57822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C23H23N3OS2/c1-27-20-10-5-9-19(15-20)17-29-23-25-24-22(16-21-11-6-14-28-21)26(23)13-12-18-7-3-2-4-8-18/h2-11,14-15H,12-13,16-17H2,1H3