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

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C15H17N5O3S2 MolecularWeight: 379.45718

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O3S2/c1-2-24-15-18-17-14(25-15)16-13(21)10-5-6-11(12(9-10)20(22)23)19-7-3-4-8-19/h5-6,9H,2-4,7-8H2,1H3,(H,16,17,21)