3-(2-methylfuran-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazole

Systemtic Name: 3-(2-methylfuran-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazole Openeye Name: 3-(2-methyl-3-furyl)-5-(o-tolylmethylsulfanyl)-4-propyl-1,2,4-triazole CAS Name: 3-(2-methyl-3-furanyl)-5-[(2-methylphenyl)methylthio]-4-propyl-1,2,4-triazole IUPAC Name: 3-(2-methylfuran-3-yl)-5-[(2-methylphenyl)methylsulfanyl]-4-propyl-1,2,4-triazole Traditional Name: 3-[(2-methylbenzyl)thio]-5-(2-methyl-3-furyl)-4-propyl-1,2,4-triazole Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC=CC=C2C)C3=C(OC=C3)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC=CC=C2C)C3=C(OC=C3)C

InChI

InChI=1S/C18H21N3OS/c1-4-10-21-17(16-9-11-22-14(16)3)19-20-18(21)23-12-15-8-6-5-7-13(15)2/h5-9,11H,4,10,12H2,1-3H3