5-(3-nitropyridin-2-yl)sulfanyl-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(3-nitropyridin-2-yl)sulfanyl-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3-nitro-2-pyridyl)sulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-nitro-2-pyridinyl)thio]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(3-nitropyridin-2-yl)sulfanyl-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(3-nitro-2-pyridyl)thio]-1,3,4-thiadiazol-2-yl]-(4-phenoxyphenyl)amine Formula: C19H13N5O3S2 MolecularWeight: 423.46822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SC4=C(C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SC4=C(C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N5O3S2/c25-24(26)16-7-4-12-20-17(16)28-19-23-22-18(29-19)21-13-8-10-15(11-9-13)27-14-5-2-1-3-6-14/h1-12H,(H,21,22)