3-[1-(2-chlorophenyl)ethoxy]-5-(3-phenylazanyl-1,2,4-triazol-1-yl)thiophene-2-carboxamide

Systemtic Name: 3-[1-(2-chlorophenyl)ethoxy]-5-(3-phenylazanyl-1,2,4-triazol-1-yl)thiophene-2-carboxamide Openeye Name: 5-(3-anilino-1,2,4-triazol-1-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide CAS Name: 5-(3-anilino-1,2,4-triazol-1-yl)-3-[1-(2-chlorophenyl)ethoxy]-2-thiophenecarboxamide IUPAC Name: 5-(3-anilino-1,2,4-triazol-1-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide Traditional Name: 5-(3-anilino-1,2,4-triazol-1-yl)-3-[1-(2-chlorophenyl)ethoxy]thiophene-2-carboxamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC(=N3)NC4=CC=CC=C4)C(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC(=N3)NC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H18ClN5O2S/c1-13(15-9-5-6-10-16(15)22)29-17-11-18(30-19(17)20(23)28)27-12-24-21(26-27)25-14-7-3-2-4-8-14/h2-13H,1H3,(H2,23,28)(H,25,26)