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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C23H26N6O4S MolecularWeight: 482.55534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

InChI

InChI=1S/C23H26N6O4S/c1-16(22(30)24-19-14-18(29(31)32)10-11-20(19)33-2)34-23-26-25-21(15-27-12-6-7-13-27)28(23)17-8-4-3-5-9-17/h3-5,8-11,14,16H,6-7,12-13,15H2,1-2H3,(H,24,30)