N-[5-[(E)-1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide

Systemtic Name: N-[5-[(E)-1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-[(E)-1-cyano-2-(4-methoxyphenyl)vinyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-[(E)-1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-[(E)-1-cyano-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-[(E)-1-cyano-2-(4-methoxyphenyl)vinyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C19H13N5O4S MolecularWeight: 407.40262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H13N5O4S/c1-28-16-8-2-12(3-9-16)10-14(11-20)18-22-23-19(29-18)21-17(25)13-4-6-15(7-5-13)24(26)27/h2-10H,1H3,(H,21,23,25)/b14-10+