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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-tert-butylphenyl)methylsulfanyl]-5-(m-tolyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-tert-butylbenzyl)thio]-5-(m-tolyl)-1,2,4-triazole Formula: C23H27N3S MolecularWeight: 377.54558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H27N3S/c1-6-14-26-21(19-9-7-8-17(2)15-19)24-25-22(26)27-16-18-10-12-20(13-11-18)23(3,4)5/h6-13,15H,1,14,16H2,2-5H3