3-nitro-N-[5-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-nitro-N-[5-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-nitro-N-[5-[2-oxo-2-(thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-nitro-N-[5-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-nitro-N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C14H10N6O4S3 MolecularWeight: 422.462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(S2)SCC(=O)NC3=NC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(S2)SCC(=O)NC3=NC=CS3

InChI

InChI=1S/C14H10N6O4S3/c21-10(16-12-15-4-5-25-12)7-26-14-19-18-13(27-14)17-11(22)8-2-1-3-9(6-8)20(23)24/h1-6H,7H2,(H,15,16,21)(H,17,18,22)