3-[(3,4-dimethylphenyl)methylsulfanyl]-4-(3-methylphenyl)-5-propan-2-yl-1,2,4-triazole

Systemtic Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-4-(3-methylphenyl)-5-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-5-isopropyl-4-(m-tolyl)-1,2,4-triazole CAS Name: 3-[(3,4-dimethylphenyl)methylthio]-4-(3-methylphenyl)-5-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(3,4-dimethylphenyl)methylsulfanyl]-4-(3-methylphenyl)-5-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(3,4-dimethylbenzyl)thio]-5-isopropyl-4-(m-tolyl)-1,2,4-triazole Formula: C21H25N3S MolecularWeight: 351.5083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)C)C)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC(=C(C=C3)C)C)C(C)C

InChI

InChI=1S/C21H25N3S/c1-14(2)20-22-23-21(24(20)19-8-6-7-15(3)11-19)25-13-18-10-9-16(4)17(5)12-18/h6-12,14H,13H2,1-5H3