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

Systemtic Name: 5-cyclopentyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-cyclopentyl-1H-1,2,4-triazole CAS Name: 5-cyclopentyl-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-cyclopentyl-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-cyclopentyl-1H-1,2,4-triazole Formula: C14H17N3S MolecularWeight: 259.36988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC(=NN2)SCC3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)C2=NC(=NN2)SCC3=CC=CC=C3

InChI

InChI=1S/C14H17N3S/c1-2-6-11(7-3-1)10-18-14-15-13(16-17-14)12-8-4-5-9-12/h1-3,6-7,12H,4-5,8-10H2,(H,15,16,17)