4-methyl-3-(2-methylfuran-3-yl)-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-(2-methylfuran-3-yl)-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(4-isopropylphenyl)methylsulfanyl]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 4-methyl-3-(2-methyl-3-furanyl)-5-[(4-propan-2-ylphenyl)methylthio]-1,2,4-triazole IUPAC Name: 4-methyl-3-(2-methylfuran-3-yl)-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(4-isopropylbenzyl)thio]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C18H21N3OS MolecularWeight: 327.44384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C)SCC3=CC=C(C=C3)C(C)C

InChI

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