N-[5-(naphthalen-1-yloxymethyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide

Systemtic Name: N-[5-(naphthalen-1-yloxymethyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-(1-naphthyloxymethyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-(1-naphthalenyloxymethyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-(naphthalen-1-yloxymethyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-(1-naphthoxymethyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C20H14N4O4S MolecularWeight: 406.41456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OCC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OCC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O4S/c25-19(14-8-10-15(11-9-14)24(26)27)21-20-23-22-18(29-20)12-28-17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,21,23,25)