3-[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]-6-nitro-chromen-2-one

Systemtic Name: 3-[5-[(2,3-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]-6-nitro-chromen-2-one Openeye Name: 3-[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-chromen-2-one CAS Name: 3-[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]-6-nitrochromen-2-one Traditional Name: 3-[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-coumarin Formula: C19H14N4O4S MolecularWeight: 394.40386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN=C(S2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O)C

InChI

InChI=1S/C19H14N4O4S/c1-10-4-3-5-15(11(10)2)20-19-22-21-17(28-19)14-9-12-8-13(23(25)26)6-7-16(12)27-18(14)24/h3-9H,1-2H3,(H,20,22)