2-[5-azanyl-4-(1H-benzimidazol-2-yl)-3-(propan-2-ylsulfanylmethyl)pyrazol-1-yl]ethanol

Systemtic Name: 2-[5-azanyl-4-(1H-benzimidazol-2-yl)-3-(propan-2-ylsulfanylmethyl)pyrazol-1-yl]ethanol Openeye Name: 2-[5-amino-4-(1H-benzimidazol-2-yl)-3-(isopropylsulfanylmethyl)pyrazol-1-yl]ethanol CAS Name: 2-[5-amino-4-(1H-benzimidazol-2-yl)-3-[(propan-2-ylthio)methyl]-1-pyrazolyl]ethanol IUPAC Name: 2-[5-amino-4-(1H-benzimidazol-2-yl)-3-(propan-2-ylsulfanylmethyl)pyrazol-1-yl]ethanol Traditional Name: 2-[5-amino-4-(1H-benzimidazol-2-yl)-3-[(isopropylthio)methyl]pyrazol-1-yl]ethanol Formula: C16H21N5OS MolecularWeight: 331.43584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC1=NN(C(=C1C2=NC3=CC=CC=C3N2)N)CCO

Isomeric SMILES

CC(C)SCC1=NN(C(=C1C2=NC3=CC=CC=C3N2)N)CCO

InChI

InChI=1S/C16H21N5OS/c1-10(2)23-9-13-14(15(17)21(20-13)7-8-22)16-18-11-5-3-4-6-12(11)19-16/h3-6,10,22H,7-9,17H2,1-2H3,(H,18,19)