N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-cyclopentyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-piperonyl-benzamide Formula: C23H23N5O5S MolecularWeight: 481.52422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N(CC3=CC4=C(C=C3)OCO4)C5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N(CC3=CC4=C(C=C3)OCO4)C5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O5S/c1-26-13-24-25-23(26)34-21-9-7-16(11-18(21)28(30)31)22(29)27(17-4-2-3-5-17)12-15-6-8-19-20(10-15)33-14-32-19/h6-11,13,17H,2-5,12,14H2,1H3