N-(5-but-2-en-2-yl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide

Systemtic Name: N-(5-but-2-en-2-yl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide Openeye Name: N-[5-(1-methylprop-1-enyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-(5-but-2-en-2-yl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide IUPAC Name: N-(5-but-2-en-2-yl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide Traditional Name: N-[5-(1-methylprop-1-enyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC=C(C)C1=NN=C(S1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O3S/c1-3-8(2)12-15-16-13(21-12)14-11(18)9-5-4-6-10(7-9)17(19)20/h3-7H,1-2H3,(H,14,16,18)