N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-morpholino-5-nitro-benzamide Formula: C21H18N6O4S2 MolecularWeight: 482.53542

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H18N6O4S2/c22-12-14-1-3-15(4-2-14)13-32-21-25-24-20(33-21)23-19(28)17-11-16(27(29)30)5-6-18(17)26-7-9-31-10-8-26/h1-6,11H,7-10,13H2,(H,23,24,28)