N-(2-methyl-3-nitro-phenyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-nitro-phenyl)propanamide CAS Name: N-(2-methyl-3-nitrophenyl)-2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-3-nitrophenyl)propanamide Traditional Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-3-nitro-phenyl)propionamide Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N5O3S/c1-17-21(14-9-15-22(17)30(32)33)26-24(31)18(2)34-25-28-27-23(16-19-10-5-3-6-11-19)29(25)20-12-7-4-8-13-20/h3-15,18H,16H2,1-2H3,(H,26,31)