4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(2-phenyl-2-pyrrolidino-ethyl)benzamide Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC(C3=CC=CC=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC(C3=CC=CC=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O3S/c1-26-15-24-25-22(26)32-20-10-9-17(13-18(20)28(30)31)21(29)23-14-19(27-11-5-6-12-27)16-7-3-2-4-8-16/h2-4,7-10,13,15,19H,5-6,11-12,14H2,1H3,(H,23,29)