3-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O3S/c26-19(21-20-23-22-18(29-20)12-14-6-2-1-3-7-14)15-8-9-16(17(13-15)25(27)28)24-10-4-5-11-24/h1-3,6-9,13H,4-5,10-12H2,(H,21,23,26)