5-(4-methylphenyl)-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-(4-methylphenyl)-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-(3-phenoxypropylsulfanyl)-5-(p-tolyl)-1H-1,2,4-triazole CAS Name: 5-(4-methylphenyl)-3-(3-phenoxypropylthio)-1H-1,2,4-triazole IUPAC Name: 5-(4-methylphenyl)-3-(3-phenoxypropylsulfanyl)-1H-1,2,4-triazole Traditional Name: 3-(3-phenoxypropylthio)-5-(p-tolyl)-1H-1,2,4-triazole Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)SCCCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)SCCCOC3=CC=CC=C3

InChI

InChI=1S/C18H19N3OS/c1-14-8-10-15(11-9-14)17-19-18(21-20-17)23-13-5-12-22-16-6-3-2-4-7-16/h2-4,6-11H,5,12-13H2,1H3,(H,19,20,21)