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

Systemtic Name: (E)-N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-3-(4-nitrophenyl)-N-(5-sec-butylsulfanyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-N-[5-(butan-2-ylthio)-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(4-nitrophenyl)-N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]acrylamide Formula: C15H16N4O3S2 MolecularWeight: 364.44254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(S1)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)SC1=NN=C(S1)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O3S2/c1-3-10(2)23-15-18-17-14(24-15)16-13(20)9-6-11-4-7-12(8-5-11)19(21)22/h4-10H,3H2,1-2H3,(H,16,17,20)/b9-6+