N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)C4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O3S/c22-14(17-16-19-18-15(25-16)10-3-4-10)11-5-6-12(13(9-11)21(23)24)20-7-1-2-8-20/h5-6,9-10H,1-4,7-8H2,(H,17,19,22)