N-[5-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: N-[5-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[[2-(3-nitroanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-[5-[2-(3-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-[[2-keto-2-(3-nitroanilino)ethyl]thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H13N5O4S2 MolecularWeight: 415.44622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O4S2/c23-14(18-12-7-4-8-13(9-12)22(25)26)10-27-17-21-20-16(28-17)19-15(24)11-5-2-1-3-6-11/h1-9H,10H2,(H,18,23)(H,19,20,24)