4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide

Systemtic Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide Openeye Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitro-benzamide CAS Name: 4-[[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]-3-nitrobenzamide IUPAC Name: 4-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-nitrobenzamide Traditional Name: 4-[[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]-3-nitro-benzamide Formula: C21H20ClN5O3S MolecularWeight: 457.9332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(C1)N2C(=NN=C2SCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-])C4=CC=CC=C4Cl

InChI

InChI=1S/C21H20ClN5O3S/c22-17-8-4-3-7-16(17)20-24-25-21(26(20)15-5-1-2-6-15)31-12-14-10-9-13(19(23)28)11-18(14)27(29)30/h3-4,7-11,15H,1-2,5-6,12H2,(H2,23,28)