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

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-methyl-3-furyl)-1,2,4-triazol-4-amine CAS Name: 3-[(4-tert-butylphenyl)methylthio]-5-(2-methyl-3-furanyl)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-methylfuran-3-yl)-1,2,4-triazol-4-amine Traditional Name: [3-[(4-tert-butylbenzyl)thio]-5-(2-methyl-3-furyl)-1,2,4-triazol-4-yl]amine Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2N)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C18H22N4OS/c1-12-15(9-10-23-12)16-20-21-17(22(16)19)24-11-13-5-7-14(8-6-13)18(2,3)4/h5-10H,11,19H2,1-4H3