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

Systemtic Name: 3-[(2-methoxyphenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 3-[(2-methoxyphenyl)methylsulfanyl]-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 3-[(2-methoxyphenyl)methylthio]-5-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 3-[(2-methoxyphenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 3-(o-anisylthio)-5-(p-tolyl)-1H-1,2,4-triazole Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3OC

InChI

InChI=1S/C17H17N3OS/c1-12-7-9-13(10-8-12)16-18-17(20-19-16)22-11-14-5-3-4-6-15(14)21-2/h3-10H,11H2,1-2H3,(H,18,19,20)