3-butylsulfanyl-4-methyl-5-(phenoxymethyl)-1,2,4-triazole

Systemtic Name: 3-butylsulfanyl-4-methyl-5-(phenoxymethyl)-1,2,4-triazole Openeye Name: 3-butylsulfanyl-4-methyl-5-(phenoxymethyl)-1,2,4-triazole CAS Name: 3-(butylthio)-4-methyl-5-(phenoxymethyl)-1,2,4-triazole IUPAC Name: 3-butylsulfanyl-4-methyl-5-(phenoxymethyl)-1,2,4-triazole Traditional Name: 3-(butylthio)-4-methyl-5-(phenoxymethyl)-1,2,4-triazole Formula: C14H19N3OS MolecularWeight: 277.38516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C)COC2=CC=CC=C2

Isomeric SMILES

CCCCSC1=NN=C(N1C)COC2=CC=CC=C2

InChI

InChI=1S/C14H19N3OS/c1-3-4-10-19-14-16-15-13(17(14)2)11-18-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3