5-dec-9-enyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5-dec-9-enyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-dec-9-enyl-1H-1,2,4-triazole CAS Name: 5-dec-9-enyl-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-dec-9-enyl-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-dec-9-enyl-1H-1,2,4-triazole Formula: C19H27N3S MolecularWeight: 329.50278

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCCCCC1=NC(=NN1)SCC2=CC=CC=C2

Isomeric SMILES

C=CCCCCCCCCC1=NC(=NN1)SCC2=CC=CC=C2

InChI

InChI=1S/C19H27N3S/c1-2-3-4-5-6-7-8-12-15-18-20-19(22-21-18)23-16-17-13-10-9-11-14-17/h2,9-11,13-14H,1,3-8,12,15-16H2,(H,20,21,22)