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

Systemtic Name: N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-phenyl-ethanamide Openeye Name: N-[1-[5-(m-tolylmethylsulfanyl)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-phenyl-acetamide CAS Name: N-[1-[5-[(3-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-2-phenylacetamide IUPAC Name: N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenylethyl]-2-phenylacetamide Traditional Name: N-[1-[5-[(3-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-phenyl-acetamide Formula: C32H29N5O3S MolecularWeight: 563.66936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C(CC4=CC=CC=C4)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])C(CC4=CC=CC=C4)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C32H29N5O3S/c1-23-9-8-14-26(19-23)22-41-32-35-34-31(36(32)27-15-17-28(18-16-27)37(39)40)29(20-24-10-4-2-5-11-24)33-30(38)21-25-12-6-3-7-13-25/h2-19,29H,20-22H2,1H3,(H,33,38)