N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]-2-(2-nitrophenoxy)acetamide Formula: C21H16N4O4S2 MolecularWeight: 452.50614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)NC(=O)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)NC(=O)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S2/c26-19(12-29-18-11-4-3-10-17(18)25(27)28)22-20-23-24-21(31-20)30-13-15-8-5-7-14-6-1-2-9-16(14)15/h1-11H,12-13H2,(H,22,23,26)