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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(p-tolyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-(p-tolyl)-5-(2-thienyl)-1,2,4-triazole Formula: C24H25N3S2 MolecularWeight: 419.6054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3S2/c1-17-7-13-20(14-8-17)27-22(21-6-5-15-28-21)25-26-23(27)29-16-18-9-11-19(12-10-18)24(2,3)4/h5-15H,16H2,1-4H3