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

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazole Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=CS4

InChI

InChI=1S/C22H21N3OS2/c1-15-6-7-16(2)17(13-15)14-28-22-24-23-21(20-5-4-12-27-20)25(22)18-8-10-19(26-3)11-9-18/h4-13H,14H2,1-3H3