5-methyl-3-[(3-phenoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole

Systemtic Name: 5-methyl-3-[(3-phenoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Openeye Name: 5-methyl-3-[(3-phenoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole CAS Name: 5-methyl-3-[(3-phenoxyphenyl)methylthio]-1H-1,2,4-triazole IUPAC Name: 5-methyl-3-[(3-phenoxyphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-methyl-3-[(3-phenoxybenzyl)thio]-1H-1,2,4-triazole Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NN1)SCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C16H15N3OS/c1-12-17-16(19-18-12)21-11-13-6-5-9-15(10-13)20-14-7-3-2-4-8-14/h2-10H,11H2,1H3,(H,17,18,19)