2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-N-phenethyl-acetamide CAS Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-benzyl-N-phenethylacetamide Traditional Name: 2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-benzyl-N-phenethyl-acetamide Formula: C23H23N5OS2 MolecularWeight: 449.59162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CSC3=NN=C(N3N)C4=CC=CS4

InChI

InChI=1S/C23H23N5OS2/c24-28-22(20-12-7-15-30-20)25-26-23(28)31-17-21(29)27(16-19-10-5-2-6-11-19)14-13-18-8-3-1-4-9-18/h1-12,15H,13-14,16-17,24H2