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

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazole Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-4-isopropyl-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(N2C(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3OS/c1-14(2)24-20(17-8-10-19(25-5)11-9-17)22-23-21(24)26-13-18-12-15(3)6-7-16(18)4/h6-12,14H,13H2,1-5H3