6-chloranyl-2-pentan-3-ylsulfanyl-5-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-1H-benzimidazole

Systemtic Name: 6-chloranyl-2-pentan-3-ylsulfanyl-5-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-1H-benzimidazole Openeye Name: 6-chloro-2-(1-ethylpropylsulfanyl)-5-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-1H-benzimidazole CAS Name: 6-chloro-2-(pentan-3-ylthio)-5-[4-(1H-pyrazol-5-ylmethyl)-1-piperazinyl]-1H-benzimidazole IUPAC Name: 6-chloro-2-pentan-3-ylsulfanyl-5-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-1H-benzimidazole Traditional Name: 6-chloro-2-(1-ethylpropylthio)-5-[4-(1H-pyrazol-5-ylmethyl)piperazino]-1H-benzimidazole Formula: C20H27ClN6S MolecularWeight: 418.98658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CC4=CC=NN4

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CC4=CC=NN4

InChI

InChI=1S/C20H27ClN6S/c1-3-15(4-2)28-20-23-17-11-16(21)19(12-18(17)24-20)27-9-7-26(8-10-27)13-14-5-6-22-25-14/h5-6,11-12,15H,3-4,7-10,13H2,1-2H3,(H,22,25)(H,23,24)