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

Systemtic Name: 3-nitro-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C20H19N5O3S2 MolecularWeight: 441.52656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O3S2/c26-18(15-8-9-16(17(12-15)25(27)28)24-10-4-5-11-24)21-19-22-23-20(30-19)29-13-14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2,(H,21,22,26)