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

Systemtic Name: 3-[3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCCN2C3=CC=CC=C3NC2=O)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SCCCN2C3=CC=CC=C3NC2=O)C4=CC=NC=C4

InChI

InChI=1S/C18H18N6OS/c1-23-16(13-7-9-19-10-8-13)21-22-18(23)26-12-4-11-24-15-6-3-2-5-14(15)20-17(24)25/h2-3,5-10H,4,11-12H2,1H3,(H,20,25)