2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C23H22N6O4S MolecularWeight: 478.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H22N6O4S/c1-14-10-19(29(31)32)20(33-2)12-18(14)25-22(30)13-34-23-27-26-21(28(23)24)11-16-8-5-7-15-6-3-4-9-17(15)16/h3-10,12H,11,13,24H2,1-2H3,(H,25,30)