2-[3-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[3-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[3-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]propanoylamino]thiophene-3-carboxamide Formula: C19H21N5O2S2 MolecularWeight: 415.53234

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)NC2=C(C=CS2)C(=O)N)C3=CC=CC=C3C

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)NC2=C(C=CS2)C(=O)N)C3=CC=CC=C3C

InChI

InChI=1S/C19H21N5O2S2/c1-3-24-17(13-7-5-4-6-12(13)2)22-23-19(24)28-11-9-15(25)21-18-14(16(20)26)8-10-27-18/h4-8,10H,3,9,11H2,1-2H3,(H2,20,26)(H,21,25)