3-(furan-2-ylmethylsulfanyl)-5-[(3-methylphenyl)methyl]-1H-1,2,4-triazole

Systemtic Name: 3-(furan-2-ylmethylsulfanyl)-5-[(3-methylphenyl)methyl]-1H-1,2,4-triazole Openeye Name: 3-(2-furylmethylsulfanyl)-5-(m-tolylmethyl)-1H-1,2,4-triazole CAS Name: 3-(2-furanylmethylthio)-5-[(3-methylphenyl)methyl]-1H-1,2,4-triazole IUPAC Name: 3-(furan-2-ylmethylsulfanyl)-5-[(3-methylphenyl)methyl]-1H-1,2,4-triazole Traditional Name: 3-(2-furfurylthio)-5-(3-methylbenzyl)-1H-1,2,4-triazole Formula: C15H15N3OS MolecularWeight: 285.3641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=NC(=NN2)SCC3=CC=CO3

Isomeric SMILES

CC1=CC(=CC=C1)CC2=NC(=NN2)SCC3=CC=CO3

InChI

InChI=1S/C15H15N3OS/c1-11-4-2-5-12(8-11)9-14-16-15(18-17-14)20-10-13-6-3-7-19-13/h2-8H,9-10H2,1H3,(H,16,17,18)