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

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-methyl-2-nitro-phenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-methyl-2-nitrophenyl)-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methyl-2-nitrophenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-methyl-2-nitro-phenyl)-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4)[N+](=O)[O-]

InChI

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