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

Systemtic Name: 3-[3-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[(5-amino-1H-1,2,4-triazol-3-yl)thio]propyl]-1H-benzimidazol-2-one Formula: C12H14N6OS MolecularWeight: 290.34416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)N2CCCSC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCSC3=NNC(=N3)N

InChI

InChI=1S/C12H14N6OS/c13-10-15-11(17-16-10)20-7-3-6-18-9-5-2-1-4-8(9)14-12(18)19/h1-2,4-5H,3,6-7H2,(H,14,19)(H3,13,15,16,17)