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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-methyl-5-(2-methyl-3-furanyl)-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-methyl-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C19H23N3OS MolecularWeight: 341.47042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3OS/c1-13-16(10-11-23-13)17-20-21-18(22(17)5)24-12-14-6-8-15(9-7-14)19(2,3)4/h6-11H,12H2,1-5H3