N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[(4-nitrophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-[(4-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-[(4-nitrobenzyl)thio]-1,3,4-thiadiazol-2-yl]-piperonylamide Formula: C17H12N4O5S2 MolecularWeight: 416.43098

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O5S2/c22-15(11-3-6-13-14(7-11)26-9-25-13)18-16-19-20-17(28-16)27-8-10-1-4-12(5-2-10)21(23)24/h1-7H,8-9H2,(H,18,19,22)