ethyl (E)-2-cyano-3-[[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino]prop-2-enoate Openeye Name: ethyl (E)-3-[(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-2-cyano-prop-2-enoate CAS Name: (E)-2-cyano-3-[[3-(phenylmethylthio)-1,2,4-thiadiazol-5-yl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[[3-(benzylthio)-1,2,4-thiadiazol-5-yl]amino]-2-cyano-acrylic acid ethyl ester Formula: C15H14N4O2S2 MolecularWeight: 346.42726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC(=NS1)SCC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=NC(=NS1)SCC2=CC=CC=C2)/C#N

InChI

InChI=1S/C15H14N4O2S2/c1-2-21-13(20)12(8-16)9-17-14-18-15(19-23-14)22-10-11-6-4-3-5-7-11/h3-7,9H,2,10H2,1H3,(H,17,18,19)/b12-9+