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

Systemtic Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-4-(p-tolyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(3,4-dimethylphenyl)methylthio]-4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(3,4-dimethylbenzyl)thio]-4-(p-tolyl)-5-(2-thienyl)-1,2,4-triazole Formula: C22H21N3S2 MolecularWeight: 391.55224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)C)C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)C)C)C4=CC=CS4

InChI

InChI=1S/C22H21N3S2/c1-15-6-10-19(11-7-15)25-21(20-5-4-12-26-20)23-24-22(25)27-14-18-9-8-16(2)17(3)13-18/h4-13H,14H2,1-3H3