3-(furan-3-ylmethylsulfanyl)-N-(2-propan-2-ylphenyl)-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-(furan-3-ylmethylsulfanyl)-N-(2-propan-2-ylphenyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-(3-furylmethylsulfanyl)-N-(2-isopropylphenyl)-1H-1,2,4-triazol-5-amine CAS Name: 3-(3-furanylmethylthio)-N-(2-propan-2-ylphenyl)-1H-1,2,4-triazol-5-amine IUPAC Name: 3-(furan-3-ylmethylsulfanyl)-N-(2-propan-2-ylphenyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-(3-furfurylthio)-1H-1,2,4-triazol-5-yl]-o-cumenyl-amine Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC2=NC(=NN2)SCC3=COC=C3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC2=NC(=NN2)SCC3=COC=C3

InChI

InChI=1S/C16H18N4OS/c1-11(2)13-5-3-4-6-14(13)17-15-18-16(20-19-15)22-10-12-7-8-21-9-12/h3-9,11H,10H2,1-2H3,(H2,17,18,19,20)