N-(4-chloranyl-3-nitro-phenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-2-phenylacetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-2-phenyl-acetamide Formula: C23H23ClN6O3S MolecularWeight: 498.98512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3CC3)SC(C4=CC=CC=C4)C(=O)NC5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3CC3)SC(C4=CC=CC=C4)C(=O)NC5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H23ClN6O3S/c24-18-11-8-16(14-19(18)30(32)33)25-21(31)20(15-6-2-1-3-7-15)34-23-27-26-22(28-12-4-5-13-28)29(23)17-9-10-17/h1-3,6-8,11,14,17,20H,4-5,9-10,12-13H2,(H,25,31)