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

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(m-tolyl)-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(3-methylphenyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(2,5-dimethylbenzyl)thio]-5-(m-tolyl)-1,2,4-triazole Formula: C21H23N3S MolecularWeight: 349.49242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3S/c1-5-11-24-20(18-8-6-7-15(2)12-18)22-23-21(24)25-14-19-13-16(3)9-10-17(19)4/h5-10,12-13H,1,11,14H2,2-4H3