1-azanyl-4-(6-nitro-1H-benzimidazol-2-yl)butane-2-thiol

Systemtic Name: 1-azanyl-4-(6-nitro-1H-benzimidazol-2-yl)butane-2-thiol Openeye Name: 1-amino-4-(6-nitro-1H-benzimidazol-2-yl)butane-2-thiol CAS Name: 1-amino-4-(6-nitro-1H-benzimidazol-2-yl)-2-butanethiol IUPAC Name: 1-amino-4-(6-nitro-1H-benzimidazol-2-yl)butane-2-thiol Traditional Name: 1-amino-4-(6-nitro-1H-benzimidazol-2-yl)butane-2-thiol Formula: C11H14N4O2S MolecularWeight: 266.31946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CCC(CN)S

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CCC(CN)S

InChI

InChI=1S/C11H14N4O2S/c12-6-8(18)2-4-11-13-9-3-1-7(15(16)17)5-10(9)14-11/h1,3,5,8,18H,2,4,6,12H2,(H,13,14)