3-[3-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one Formula: C19H20N6O2S MolecularWeight: 396.4661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2N)SCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2N)SCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C19H20N6O2S/c1-27-16-10-5-2-7-13(16)17-22-23-19(25(17)20)28-12-6-11-24-15-9-4-3-8-14(15)21-18(24)26/h2-5,7-10H,6,11-12,20H2,1H3,(H,21,26)