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

Systemtic Name: 5-(4-ethylphenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(4-ethylphenyl)-1H-1,2,4-triazole CAS Name: 5-(4-ethylphenyl)-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(4-ethylphenyl)-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(4-ethylphenyl)-1H-1,2,4-triazole Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3S/c1-2-13-8-10-15(11-9-13)16-18-17(20-19-16)21-12-14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,18,19,20)