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

Systemtic Name: 2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[[4-methyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[[4-methyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[[4-methyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[[4-methyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O3S/c1-15-10-11-18(13-20(15)28(30)31)24-22(29)14-32-23-26-25-21(27(23)2)12-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,13H,12,14H2,1-2H3,(H,24,29)