2-(pyrimidin-4-ylsulfanylmethyl)-1H-benzimidazole

Systemtic Name: 2-(pyrimidin-4-ylsulfanylmethyl)-1H-benzimidazole Openeye Name: 2-(pyrimidin-4-ylsulfanylmethyl)-1H-benzimidazole CAS Name: 2-[(4-pyrimidinylthio)methyl]-1H-benzimidazole IUPAC Name: 2-(pyrimidin-4-ylsulfanylmethyl)-1H-benzimidazole Traditional Name: 2-[(4-pyrimidylthio)methyl]-1H-benzimidazole Formula: C12H10N4S MolecularWeight: 242.2996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NC=NC=C3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NC=NC=C3

InChI

InChI=1S/C12H10N4S/c1-2-4-10-9(3-1)15-11(16-10)7-17-12-5-6-13-8-14-12/h1-6,8H,7H2,(H,15,16)