3-(4-tert-butylphenyl)-4-methyl-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-methyl-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-5-[(4-isopropylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-methyl-5-[(4-propan-2-ylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-methyl-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-5-[(4-isopropylbenzyl)thio]-4-methyl-1,2,4-triazole Formula: C23H29N3S MolecularWeight: 379.56146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NN=C(N2C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H29N3S/c1-16(2)18-9-7-17(8-10-18)15-27-22-25-24-21(26(22)6)19-11-13-20(14-12-19)23(3,4)5/h7-14,16H,15H2,1-6H3