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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCCC3=CC=CC=C3

InChI

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