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

Systemtic Name: 5-(furan-2-yl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(2-furyl)-1H-1,2,4-triazole CAS Name: 5-(2-furanyl)-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(furan-2-yl)-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(2-furyl)-1H-1,2,4-triazole Formula: C13H11N3OS MolecularWeight: 257.31094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CO3

InChI

InChI=1S/C13H11N3OS/c1-2-5-10(6-3-1)9-18-13-14-12(15-16-13)11-7-4-8-17-11/h1-8H,9H2,(H,14,15,16)