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

Systemtic Name: 3-(2-chlorophenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(2-chlorophenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-chlorophenyl)-5-[(2,5-dimethylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-(2-chlorophenyl)-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(2-chlorophenyl)-5-[(2,5-dimethylbenzyl)thio]-1,2,4-triazole Formula: C20H20ClN3S MolecularWeight: 369.9109

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2CC=C)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2CC=C)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H20ClN3S/c1-4-11-24-19(17-7-5-6-8-18(17)21)22-23-20(24)25-13-16-12-14(2)9-10-15(16)3/h4-10,12H,1,11,13H2,2-3H3