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

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-chloro-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-3-(4-chloro-3-nitro-phenyl)acrylamide Formula: C14H11ClN4O3S2 MolecularWeight: 382.84514

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H11ClN4O3S2/c1-2-7-23-14-18-17-13(24-14)16-12(20)6-4-9-3-5-10(15)11(8-9)19(21)22/h2-6,8H,1,7H2,(H,16,17,20)/b6-4+