ethyl (E)-3-[4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophen-2-yl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophen-2-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-thienyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-thiophenyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]thiophen-2-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl]-2-thienyl]-2-cyano-acrylic acid ethyl ester Formula: C13H12N4O2S3 MolecularWeight: 352.45498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=CS1)CSC2=NN=C(S2)N)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=CS1)CSC2=NN=C(S2)N)/C#N

InChI

InChI=1S/C13H12N4O2S3/c1-2-19-11(18)9(5-14)4-10-3-8(6-20-10)7-21-13-17-16-12(15)22-13/h3-4,6H,2,7H2,1H3,(H2,15,16)/b9-4+