3,4-diethyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3,4-diethyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-4,5-diethyl-1,2,4-triazole CAS Name: 3,4-diethyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4,5-diethyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-4,5-diethyl-1,2,4-triazole Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC)SCC2=CC=CC=C2

Isomeric SMILES

CCC1=NN=C(N1CC)SCC2=CC=CC=C2

InChI

InChI=1S/C13H17N3S/c1-3-12-14-15-13(16(12)4-2)17-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3