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

Systemtic Name: N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Openeye Name: N-[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide CAS Name: N-[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide IUPAC Name: N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-nitrobenzamide Traditional Name: N-[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Formula: C20H14N4O3S2 MolecularWeight: 422.48016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4O3S2/c25-18(16-10-3-4-11-17(16)24(26)27)21-19-22-23-20(29-19)28-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H,21,22,25)