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

Systemtic Name: 3,5-dimethoxy-N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: 3,5-dimethoxy-N-[1-[5-(m-tolylmethylsulfanyl)-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide CAS Name: 3,5-dimethoxy-N-[1-[5-[(3-methylphenyl)methylthio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[1-[5-[(3-methylphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: 3,5-dimethoxy-N-[1-[5-[(3-methylbenzyl)thio]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]ethyl]benzamide Formula: C27H27N5O5S MolecularWeight: 533.59878

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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(C)NC(=O)C4=CC(=CC(=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O5S/c1-17-6-5-7-19(12-17)16-38-27-30-29-25(31(27)21-8-10-22(11-9-21)32(34)35)18(2)28-26(33)20-13-23(36-3)15-24(14-20)37-4/h5-15,18H,16H2,1-4H3,(H,28,33)