N-(furan-2-ylmethyl)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine

Systemtic Name: N-(furan-2-ylmethyl)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine Openeye Name: N-(2-furylmethyl)-5-(p-tolyl)-2-(p-tolylsulfonyl)-1,2,4-triazol-3-amine CAS Name: N-(2-furanylmethyl)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine IUPAC Name: N-(furan-2-ylmethyl)-5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine Traditional Name: 2-furfuryl-[5-(p-tolyl)-2-tosyl-1,2,4-triazol-3-yl]amine Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CO3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H20N4O3S/c1-15-5-9-17(10-6-15)20-23-21(22-14-18-4-3-13-28-18)25(24-20)29(26,27)19-11-7-16(2)8-12-19/h3-13H,14H2,1-2H3,(H,22,23,24)