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

Systemtic Name: N-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-[(4-nitrophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-(4-nitrobenzyl)-1,3,4-thiadiazol-2-yl]-piperonylamide Formula: C17H12N4O5S MolecularWeight: 384.36598

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O5S/c22-16(11-3-6-13-14(8-11)26-9-25-13)18-17-20-19-15(27-17)7-10-1-4-12(5-2-10)21(23)24/h1-6,8H,7,9H2,(H,18,20,22)