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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN4O3S/c1-2-3-4-5-15-19-20-16(25-15)18-14(22)9-7-11-6-8-12(17)13(10-11)21(23)24/h6-10H,2-5H2,1H3,(H,18,20,22)/b9-7+