3-(4-tert-butylphenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(4-tert-butylphenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-[(2,5-dimethylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(4-tert-butylphenyl)-5-[(2,5-dimethylbenzyl)thio]-1,2,4-triazole Formula: C24H29N3S MolecularWeight: 391.57216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H29N3S/c1-7-14-27-22(19-10-12-21(13-11-19)24(4,5)6)25-26-23(27)28-16-20-15-17(2)8-9-18(20)3/h7-13,15H,1,14,16H2,2-6H3