[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-phenyl-methanone

Systemtic Name: [3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-phenyl-methanone Openeye Name: [3-(4-methoxyphenyl)-5-(2-thienylmethylamino)-1,2,4-triazol-1-yl]-phenyl-methanone CAS Name: [3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-phenylmethanone IUPAC Name: [3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]-phenylmethanone Traditional Name: [3-(4-methoxyphenyl)-5-(2-thenylamino)-1,2,4-triazol-1-yl]-phenyl-methanone Formula: C21H18N4O2S MolecularWeight: 390.45822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=CS3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S/c1-27-17-11-9-15(10-12-17)19-23-21(22-14-18-8-5-13-28-18)25(24-19)20(26)16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,22,23,24)