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

Systemtic Name: 3-[5-[(2,4-dichlorophenyl)amino]-1,3,4-thiadiazol-2-yl]-6-nitro-chromen-2-one Openeye Name: 3-[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-chromen-2-one CAS Name: 3-[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]-6-nitrochromen-2-one Traditional Name: 3-[5-(2,4-dichloroanilino)-1,3,4-thiadiazol-2-yl]-6-nitro-coumarin Formula: C17H8Cl2N4O4S MolecularWeight: 435.24082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)C3=NN=C(S3)NC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)C3=NN=C(S3)NC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C17H8Cl2N4O4S/c18-9-1-3-13(12(19)7-9)20-17-22-21-15(28-17)11-6-8-5-10(23(25)26)2-4-14(8)27-16(11)24/h1-7H,(H,20,22)