3-(4-methoxyphenyl)-5-methylsulfanyl-4-phenethyl-1,2,4-triazole

Systemtic Name: 3-(4-methoxyphenyl)-5-methylsulfanyl-4-phenethyl-1,2,4-triazole Openeye Name: 3-(4-methoxyphenyl)-5-methylsulfanyl-4-phenethyl-1,2,4-triazole CAS Name: 3-(4-methoxyphenyl)-5-(methylthio)-4-phenethyl-1,2,4-triazole IUPAC Name: 3-(4-methoxyphenyl)-5-methylsulfanyl-4-phenethyl-1,2,4-triazole Traditional Name: 3-(4-methoxyphenyl)-5-(methylthio)-4-phenethyl-1,2,4-triazole Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2CCC3=CC=CC=C3)SC

InChI

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