(E)-3-(4-chloranyl-3-nitro-phenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]acrylamide Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O3S/c1-3-11(4-2)15-19-20-16(25-15)18-14(22)8-6-10-5-7-12(17)13(9-10)21(23)24/h5-9,11H,3-4H2,1-2H3,(H,18,20,22)/b8-6+