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

Systemtic Name: 3-chloranyl-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(5-neopentyl-1,3,4-thiadiazol-2-yl)benzothiophene-2-carboxamide Formula: C16H16ClN3OS2 MolecularWeight: 365.90074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)(C)CC1=NN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C16H16ClN3OS2/c1-16(2,3)8-11-19-20-15(23-11)18-14(21)13-12(17)9-6-4-5-7-10(9)22-13/h4-7H,8H2,1-3H3,(H,18,20,21)