(2S)-2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-methyl-phenyl)-2-phenyl-acetamide Formula: C22H21N5O2S2 MolecularWeight: 451.56444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)SC3=NN=C(N3N)C4=CC=CS4

InChI

InChI=1S/C22H21N5O2S2/c1-14-10-11-17(29-2)16(13-14)24-21(28)19(15-7-4-3-5-8-15)31-22-26-25-20(27(22)23)18-9-6-12-30-18/h3-13,19H,23H2,1-2H3,(H,24,28)/t19-/m0/s1