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

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2,5-dimethylbenzyl)thio]-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C21H23N3OS MolecularWeight: 365.49182

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS/c1-5-12-24-20(17-8-10-19(25-4)11-9-17)22-23-21(24)26-14-18-13-15(2)6-7-16(18)3/h5-11,13H,1,12,14H2,2-4H3