2-[[4-(2-cyanopyridin-4-yl)oxy-2-nitro-phenyl]amino]-2H-1,3-benzothiazole-3-carboxamide

Systemtic Name: 2-[[4-(2-cyanopyridin-4-yl)oxy-2-nitro-phenyl]amino]-2H-1,3-benzothiazole-3-carboxamide Openeye Name: 2-[4-[(2-cyano-4-pyridyl)oxy]-2-nitro-anilino]-2H-1,3-benzothiazole-3-carboxamide CAS Name: 2-[4-[(2-cyano-4-pyridinyl)oxy]-2-nitroanilino]-2H-1,3-benzothiazole-3-carboxamide IUPAC Name: 2-[4-(2-cyanopyridin-4-yl)oxy-2-nitroanilino]-2H-1,3-benzothiazole-3-carboxamide Traditional Name: 2-[4-[(2-cyano-4-pyridyl)oxy]-2-nitro-anilino]-2H-1,3-benzothiazole-3-carboxamide Formula: C20H14N6O4S MolecularWeight: 434.42796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(S2)NC3=C(C=C(C=C3)OC4=CC(=NC=C4)C#N)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N(C(S2)NC3=C(C=C(C=C3)OC4=CC(=NC=C4)C#N)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C20H14N6O4S/c21-11-12-9-14(7-8-23-12)30-13-5-6-15(17(10-13)26(28)29)24-20-25(19(22)27)16-3-1-2-4-18(16)31-20/h1-10,20,24H,(H2,22,27)