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

Systemtic Name: 2-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)ethanamide Openeye Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide IUPAC Name: 2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2N)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21N5O2S/c1-29-18-10-5-9-17(13-18)24-21(28)14-30-22-26-25-20(27(22)23)12-16-8-4-7-15-6-2-3-11-19(15)16/h2-11,13H,12,14,23H2,1H3,(H,24,28)