2-(1H-imidazol-2-ylmethyl)-5-nitro-2-prop-2-enyl-3H-1-benzothiophen-3-ol

Systemtic Name: 2-(1H-imidazol-2-ylmethyl)-5-nitro-2-prop-2-enyl-3H-1-benzothiophen-3-ol Openeye Name: 2-allyl-2-(1H-imidazol-2-ylmethyl)-5-nitro-3H-benzothiophen-3-ol CAS Name: 2-(1H-imidazol-2-ylmethyl)-5-nitro-2-prop-2-enyl-3H-1-benzothiophen-3-ol IUPAC Name: 2-(1H-imidazol-2-ylmethyl)-5-nitro-2-prop-2-enyl-3H-1-benzothiophen-3-ol Traditional Name: 2-allyl-2-(1H-imidazol-2-ylmethyl)-5-nitro-3H-benzothiophen-3-ol Formula: C15H15N3O3S MolecularWeight: 317.3629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])O)CC3=NC=CN3

Isomeric SMILES

C=CCC1(C(C2=C(S1)C=CC(=C2)[N+](=O)[O-])O)CC3=NC=CN3

InChI

InChI=1S/C15H15N3O3S/c1-2-5-15(9-13-16-6-7-17-13)14(19)11-8-10(18(20)21)3-4-12(11)22-15/h2-4,6-8,14,19H,1,5,9H2,(H,16,17)