3-(4-methoxyphenyl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole

Systemtic Name: 3-(4-methoxyphenyl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole Openeye Name: 3-(4-methoxyphenyl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-4-methyl-5-(phenethylthio)-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-4-methyl-5-phenethylsulfanyl-1,2,4-triazole Traditional Name: 3-(4-methoxyphenyl)-4-methyl-5-(phenethylthio)-1,2,4-triazole Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C(=NN=C1SCCC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

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