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

Systemtic Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O3S/c1-9-16-17-14(23-9)15-13(20)10-4-5-11(12(8-10)19(21)22)18-6-2-3-7-18/h4-5,8H,2-3,6-7H2,1H3,(H,15,17,20)