N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-prop-2-enamide

Systemtic Name: N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-prop-2-enamide Openeye Name: N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenyl-prop-2-enamide CAS Name: N-[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-phenyl-2-propenamide IUPAC Name: N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylprop-2-enamide Traditional Name: N-[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-phenyl-acrylamide Formula: C18H14N4O3S2 MolecularWeight: 398.45876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C=CC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O3S2/c23-16(11-8-13-4-2-1-3-5-13)19-17-20-21-18(27-17)26-12-14-6-9-15(10-7-14)22(24)25/h1-11H,12H2,(H,19,20,23)