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

Systemtic Name: (E)-3-(4-nitrophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-3-(4-nitrophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(4-nitrophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)acrylamide Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3S/c1-3-12(4-2)15-18-19-16(24-15)17-14(21)10-7-11-5-8-13(9-6-11)20(22)23/h5-10,12H,3-4H2,1-2H3,(H,17,19,21)/b10-7+