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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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