2-methoxy-N-[1-[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]ethanamide

Systemtic Name: 2-methoxy-N-[1-[4-(4-nitrophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]ethanamide Openeye Name: N-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-methoxy-acetamide CAS Name: 2-methoxy-N-[1-[4-(4-nitrophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-2-phenylethyl]acetamide IUPAC Name: N-[1-[5-benzylsulfanyl-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-2-methoxyacetamide Traditional Name: N-[1-[5-(benzylthio)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-methoxy-acetamide Formula: C26H25N5O4S MolecularWeight: 503.5728

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC=C4

Isomeric SMILES

COCC(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC=C4

InChI

InChI=1S/C26H25N5O4S/c1-35-17-24(32)27-23(16-19-8-4-2-5-9-19)25-28-29-26(36-18-20-10-6-3-7-11-20)30(25)21-12-14-22(15-13-21)31(33)34/h2-15,23H,16-18H2,1H3,(H,27,32)