2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)acetamide Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H23N5O2S/c28-32-25(17-20-9-6-8-19-7-4-5-12-24(19)20)30-31-27(32)35-18-26(33)29-21-13-15-23(16-14-21)34-22-10-2-1-3-11-22/h1-16H,17-18,28H2,(H,29,33)