3-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(3,4-dimethylphenyl)methylthio]-4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-ethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(3,4-dimethylbenzyl)thio]-4-p-phenetyl-5-(2-thienyl)-1,2,4-triazole Formula: C23H23N3OS2 MolecularWeight: 421.57822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)C)C)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)C)C)C4=CC=CS4

InChI

InChI=1S/C23H23N3OS2/c1-4-27-20-11-9-19(10-12-20)26-22(21-6-5-13-28-21)24-25-23(26)29-15-18-8-7-16(2)17(3)14-18/h5-14H,4,15H2,1-3H3