3-methyl-N-[1-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]benzamide

Systemtic Name: 3-methyl-N-[1-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]-2-oxidanyl-ethyl]benzamide Openeye Name: N-[2-hydroxy-1-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]ethyl]-3-methyl-benzamide CAS Name: N-[2-hydroxy-1-[5-[(4-nitrophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide IUPAC Name: N-[2-hydroxy-1-[5-[(4-nitrophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]ethyl]-3-methylbenzamide Traditional Name: N-[2-hydroxy-1-[5-[(4-nitrobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]ethyl]-3-methyl-benzamide Formula: C25H23N5O4S MolecularWeight: 489.54622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O4S/c1-17-6-5-7-19(14-17)24(32)26-22(15-31)23-27-28-25(29(23)20-8-3-2-4-9-20)35-16-18-10-12-21(13-11-18)30(33)34/h2-14,22,31H,15-16H2,1H3,(H,26,32)