5-(4-butoxyphenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-(4-butoxyphenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(4-butoxyphenyl)-1H-1,2,4-triazole CAS Name: 5-(4-butoxyphenyl)-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-butoxyphenyl)-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-butoxyphenyl)-1H-1,2,4-triazole Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3

InChI

InChI=1S/C19H21N3OS/c1-2-3-13-23-17-11-9-16(10-12-17)18-20-19(22-21-18)24-14-15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3,(H,20,21,22)