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

Systemtic Name: 4-chloranyl-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: 4-chloro-N-[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C20H13ClN4O3S2 MolecularWeight: 456.92522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClN4O3S2/c21-16-9-8-13(10-17(16)25(27)28)18(26)22-19-23-24-20(30-19)29-11-14-6-3-5-12-4-1-2-7-15(12)14/h1-10H,11H2,(H,22,23,26)