1-[[2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazol-1-yl]methyl]benzotriazole

Systemtic Name: 1-[[2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazol-1-yl]methyl]benzotriazole Openeye Name: 1-[[2-[1-(3-thienylmethyl)-4-piperidyl]imidazol-1-yl]methyl]benzotriazole CAS Name: 1-[[2-[1-(3-thiophenylmethyl)-4-piperidinyl]-1-imidazolyl]methyl]benzotriazole IUPAC Name: 1-[[2-[1-(thiophen-3-ylmethyl)piperidin-4-yl]imidazol-1-yl]methyl]benzotriazole Traditional Name: 1-[[2-[1-(3-thenyl)-4-piperidyl]imidazol-1-yl]methyl]benzotriazole Formula: C20H22N6S MolecularWeight: 378.49388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)CC5=CSC=C5

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CN3C4=CC=CC=C4N=N3)CC5=CSC=C5

InChI

InChI=1S/C20H22N6S/c1-2-4-19-18(3-1)22-23-26(19)15-25-11-8-21-20(25)17-5-9-24(10-6-17)13-16-7-12-27-14-16/h1-4,7-8,11-12,14,17H,5-6,9-10,13,15H2