(2-methylimidazol-1-yl)-(5-nitro-3-propan-2-yloxy-1-benzothiophen-2-yl)methanone

Systemtic Name: (2-methylimidazol-1-yl)-(5-nitro-3-propan-2-yloxy-1-benzothiophen-2-yl)methanone Openeye Name: (3-isopropoxy-5-nitro-benzothiophen-2-yl)-(2-methylimidazol-1-yl)methanone CAS Name: (2-methyl-1-imidazolyl)-(5-nitro-3-propan-2-yloxy-1-benzothiophen-2-yl)methanone IUPAC Name: (2-methylimidazol-1-yl)-(5-nitro-3-propan-2-yloxy-1-benzothiophen-2-yl)methanone Traditional Name: (3-isopropoxy-5-nitro-benzothiophen-2-yl)-(2-methylimidazol-1-yl)methanone Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C(=O)C2=C(C3=C(S2)C=CC(=C3)[N+](=O)[O-])OC(C)C

Isomeric SMILES

CC1=NC=CN1C(=O)C2=C(C3=C(S2)C=CC(=C3)[N+](=O)[O-])OC(C)C

InChI

InChI=1S/C16H15N3O4S/c1-9(2)23-14-12-8-11(19(21)22)4-5-13(12)24-15(14)16(20)18-7-6-17-10(18)3/h4-9H,1-3H3