3-(methoxymethyl)-4-(2-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(methoxymethyl)-4-(2-methylphenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(methoxymethyl)-4-(o-tolyl)-1,2,4-triazole CAS Name: 3-(methoxymethyl)-4-(2-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(methoxymethyl)-4-(2-methylphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(methoxymethyl)-4-(o-tolyl)-1,2,4-triazole Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=CC=C3)COC

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC3=CC=CC=C3)COC

InChI

InChI=1S/C18H19N3OS/c1-14-8-6-7-11-16(14)21-17(12-22-2)19-20-18(21)23-13-15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3