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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-(3-nitrophenyl)acrylamide Formula: C13H12N4O3S2 MolecularWeight: 336.38938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O3S2/c1-2-21-13-16-15-12(22-13)14-11(18)7-6-9-4-3-5-10(8-9)17(19)20/h3-8H,2H2,1H3,(H,14,15,18)