N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1-benzothiophene-2-carboxamide Openeye Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzothiophene-2-carboxamide CAS Name: N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]-1-benzothiophene-2-carboxamide Traditional Name: N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzothiophene-2-carboxamide Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3S2)N4C=NC=N4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3S2)N4C=NC=N4

InChI

InChI=1S/C20H17N5O2S/c1-13(25-12-21-11-22-25)19(26)23-15-6-8-16(9-7-15)24-20(27)18-10-14-4-2-3-5-17(14)28-18/h2-13H,1H3,(H,23,26)(H,24,27)