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

Systemtic Name: 3-(furan-3-yl)-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(3-furyl)-4-methyl-1,2,4-triazole CAS Name: 3-(3-furanyl)-4-methyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5-(furan-3-yl)-4-methyl-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(3-furyl)-4-methyl-1,2,4-triazole Formula: C14H13N3OS MolecularWeight: 271.33752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C3=COC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C3=COC=C3

InChI

InChI=1S/C14H13N3OS/c1-17-13(12-7-8-18-9-12)15-16-14(17)19-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3