3-chloranyl-N-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(5-cinnamylsulfanyl-1,3,4-thiadiazol-2-yl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[5-(3-phenylprop-2-enylthio)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[5-(cinnamylthio)-1,3,4-thiadiazol-2-yl]benzothiophene-2-carboxamide Formula: C20H14ClN3OS3 MolecularWeight: 443.99266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NN=C(S2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C=CCSC2=NN=C(S2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H14ClN3OS3/c21-16-14-10-4-5-11-15(14)27-17(16)18(25)22-19-23-24-20(28-19)26-12-6-9-13-7-2-1-3-8-13/h1-11H,12H2,(H,22,23,25)