3-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(phenylcarbonyl)phenyl]propanamide

Systemtic Name: 3-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(phenylcarbonyl)phenyl]propanamide Openeye Name: 3-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-benzoylphenyl)propanamide CAS Name: 3-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(2-benzoylphenyl)propanamide IUPAC Name: 3-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-benzoylphenyl)propanamide Traditional Name: 3-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2-benzoylphenyl)propionamide Formula: C22H19N5O2S2 MolecularWeight: 449.54856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)CCSC3=NN=C(N3N)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC(=O)CCSC3=NN=C(N3N)C4=CC=CS4

InChI

InChI=1S/C22H19N5O2S2/c23-27-21(18-11-6-13-30-18)25-26-22(27)31-14-12-19(28)24-17-10-5-4-9-16(17)20(29)15-7-2-1-3-8-15/h1-11,13H,12,14,23H2,(H,24,28)