N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-2-[(4-nitrophenyl)thio]acetamide Formula: C18H13N5O3S3 MolecularWeight: 443.52252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(S2)NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H13N5O3S3/c19-9-12-1-3-13(4-2-12)10-28-18-22-21-17(29-18)20-16(24)11-27-15-7-5-14(6-8-15)23(25)26/h1-8H,10-11H2,(H,20,21,24)