1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-(3-methyl-4-nitro-phenoxy)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-(3-methyl-4-nitro-phenoxy)ethanone Openeye Name: 1-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone CAS Name: 1-[2,5-dimethyl-1-(2-thiazolyl)-3-pyrrolyl]-2-(3-methyl-4-nitrophenoxy)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-(3-methyl-4-nitrophenoxy)ethanone Traditional Name: 1-(2,5-dimethyl-1-thiazol-2-yl-pyrrol-3-yl)-2-(3-methyl-4-nitro-phenoxy)ethanone Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O4S/c1-11-8-14(4-5-16(11)21(23)24)25-10-17(22)15-9-12(2)20(13(15)3)18-19-6-7-26-18/h4-9H,10H2,1-3H3