3,6,7-trimethyl-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 3,6,7-trimethyl-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[5-[(E)-cinnamyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,6,7-trimethyl-benzofuran-2-carboxamide CAS Name: 3,6,7-trimethyl-N-[5-[[(E)-3-phenylprop-2-enyl]thio]-1,3,4-thiadiazol-2-yl]-2-benzofurancarboxamide IUPAC Name: 3,6,7-trimethyl-N-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[5-[[(E)-cinnamyl]thio]-1,3,4-thiadiazol-2-yl]-3,6,7-trimethyl-coumarilamide Formula: C23H21N3O2S2 MolecularWeight: 435.56174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=C(O2)C(=O)NC3=NN=C(S3)SCC=CC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=C(O2)C(=O)NC3=NN=C(S3)SC/C=C/C4=CC=CC=C4)C)C

InChI

InChI=1S/C23H21N3O2S2/c1-14-11-12-18-16(3)20(28-19(18)15(14)2)21(27)24-22-25-26-23(30-22)29-13-7-10-17-8-5-4-6-9-17/h4-12H,13H2,1-3H3,(H,24,25,27)/b10-7+