5-[(3-nitrophenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(3-nitrophenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3-nitrophenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-nitrophenyl)methylthio]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-nitrophenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(3-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]-(4-phenoxyphenyl)amine Formula: C21H16N4O3S2 MolecularWeight: 436.50674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3S2/c26-25(27)17-6-4-5-15(13-17)14-29-21-24-23-20(30-21)22-16-9-11-19(12-10-16)28-18-7-2-1-3-8-18/h1-13H,14H2,(H,22,23)