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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-chlorophenyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-tert-butylbenzyl)thio]-5-(3-chlorophenyl)-1,2,4-triazole Formula: C22H24ClN3S MolecularWeight: 397.96406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3S/c1-5-13-26-20(17-7-6-8-19(23)14-17)24-25-21(26)27-15-16-9-11-18(12-10-16)22(2,3)4/h5-12,14H,1,13,15H2,2-4H3