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

Systemtic Name: 5-ethyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-ethyl-1H-1,2,4-triazole CAS Name: 5-ethyl-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-ethyl-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-ethyl-1H-1,2,4-triazole Formula: C11H13N3S MolecularWeight: 219.30602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC2=CC=CC=C2

Isomeric SMILES

CCC1=NC(=NN1)SCC2=CC=CC=C2

InChI

InChI=1S/C11H13N3S/c1-2-10-12-11(14-13-10)15-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,13,14)