2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethyl]-1-nitro-guanidine

Systemtic Name: 2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethyl]-1-nitro-guanidine Openeye Name: 2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethyl]-1-nitro-guanidine CAS Name: 2-[2-(1H-benzimidazol-2-ylmethylthio)ethyl]-1-nitroguanidine IUPAC Name: 2-[2-(1H-benzimidazol-2-ylmethylsulfanyl)ethyl]-1-nitroguanidine Traditional Name: 2-[2-(1H-benzimidazol-2-ylmethylthio)ethyl]-1-nitro-guanidine Formula: C11H14N6O2S MolecularWeight: 294.33286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSCCN=C(N)N[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSCCN=C(N)N[N+](=O)[O-]

InChI

InChI=1S/C11H14N6O2S/c12-11(16-17(18)19)13-5-6-20-7-10-14-8-3-1-2-4-9(8)15-10/h1-4H,5-7H2,(H,14,15)(H3,12,13,16)