3-butan-2-ylsulfanyl-5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-butan-2-ylsulfanyl-5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-(phenoxymethyl)-5-sec-butylsulfanyl-1,2,4-triazole CAS Name: 3-(butan-2-ylthio)-5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-butan-2-ylsulfanyl-5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-(phenoxymethyl)-5-(sec-butylthio)-1,2,4-triazole Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(N1CC=C)COC2=CC=CC=C2

Isomeric SMILES

CCC(C)SC1=NN=C(N1CC=C)COC2=CC=CC=C2

InChI

InChI=1S/C16H21N3OS/c1-4-11-19-15(12-20-14-9-7-6-8-10-14)17-18-16(19)21-13(3)5-2/h4,6-10,13H,1,5,11-12H2,2-3H3