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

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-nitro-thiophene-3-carboxamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-nitro-thiophene-3-carboxamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-5-nitro-3-thiophenecarboxamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-nitrothiophene-3-carboxamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-nitro-thiophene-3-carboxamide Formula: C15H9N5O3S3 MolecularWeight: 403.45866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9N5O3S3/c16-6-9-1-3-10(4-2-9)7-25-15-19-18-14(26-15)17-13(21)11-5-12(20(22)23)24-8-11/h1-5,8H,7H2,(H,17,18,21)