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

Systemtic Name: (E)-N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenyl-prop-2-enamide Openeye Name: (E)-2,3-diphenyl-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]-2,3-diphenyl-2-propenamide IUPAC Name: (E)-N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide Traditional Name: (E)-2,3-diphenyl-N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]acrylamide Formula: C21H21N3OS2 MolecularWeight: 395.54094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(S1)NC(=O)C(=CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)SC1=NN=C(S1)NC(=O)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3

InChI

InChI=1S/C21H21N3OS2/c1-3-15(2)26-21-24-23-20(27-21)22-19(25)18(17-12-8-5-9-13-17)14-16-10-6-4-7-11-16/h4-15H,3H2,1-2H3,(H,22,23,25)/b18-14+