ethyl 5-[[4-(1,2,4-triazol-1-yl)phenyl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[[4-(1,2,4-triazol-1-yl)phenyl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[oxo-[4-(1,2,4-triazol-1-yl)phenyl]methyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C20H16N4O3S/c1-2-27-20(26)18-10-14-9-15(5-8-17(14)28-18)23-19(25)13-3-6-16(7-4-13)24-12-21-11-22-24/h3-12H,2H2,1H3,(H,23,25)