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

Systemtic Name: N-(3-butan-2-ylphenyl)-3-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-(2-furylmethylsulfanyl)-N-(3-sec-butylphenyl)-1H-1,2,4-triazol-5-amine CAS Name: N-(3-butan-2-ylphenyl)-3-(2-furanylmethylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: N-(3-butan-2-ylphenyl)-3-(furan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-(2-furfurylthio)-1H-1,2,4-triazol-5-yl]-(3-sec-butylphenyl)amine Formula: C17H20N4OS MolecularWeight: 328.4319

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC=C1)NC2=NC(=NN2)SCC3=CC=CO3

Isomeric SMILES

CCC(C)C1=CC(=CC=C1)NC2=NC(=NN2)SCC3=CC=CO3

InChI

InChI=1S/C17H20N4OS/c1-3-12(2)13-6-4-7-14(10-13)18-16-19-17(21-20-16)23-11-15-8-5-9-22-15/h4-10,12H,3,11H2,1-2H3,(H2,18,19,20,21)