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

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-5-(4-methoxyphenyl)-1H-1,2,4-triazole Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H19N3OS/c1-12-4-5-13(2)15(10-12)11-23-18-19-17(20-21-18)14-6-8-16(22-3)9-7-14/h4-10H,11H2,1-3H3,(H,19,20,21)